 Entering Gaussian System, Link 0=g16
 Input=25_methylisochromane_Boat_STD_M11-augccpVDZr.in
 Output=25_methylisochromane_Boat_STD_M11-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/25_methylisochromane_Boat_STD/Gau-27961.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/25_methylisochromane_Boat_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     27963.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                18-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=25_methylisochromane_Boat_STD_M11-augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sun Jul 18 13:03:39 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "25_methylisochromane_Boat_STD_M11-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.556893000000      0.962771000000     -0.130925000000
  C                                                 2.806469000000     -0.381564000000      0.128707000000
  C                                                 1.251477000000      1.398833000000     -0.297104000000
  C                                                 0.177898000000      0.511952000000     -0.211676000000
  C                                                 0.433041000000     -0.835657000000      0.047582000000
  C                                                 1.746757000000     -1.271183000000      0.213760000000
  C                                                -1.245374000000      1.001383000000     -0.374974000000
  C                                                -2.153843000000     -0.180074000000     -0.705730000000
  O                                                -1.975330000000     -1.227911000000      0.235605000000
  C                                                -0.702105000000     -1.829642000000      0.110251000000
  H                                                 3.377111000000      1.665240000000     -0.203600000000
  H                                                 3.821503000000     -0.731857000000      0.264537000000
  H                                                 1.055538000000      2.445124000000     -0.502408000000
  H                                                 1.938106000000     -2.319299000000      0.415829000000
  H                                                -1.275680000000      1.696610000000     -1.220779000000
  C                                                -1.728541000000      1.739012000000      0.880156000000
  H                                                -1.947031000000     -0.549488000000     -1.719780000000
  H                                                -3.204706000000      0.105294000000     -0.652132000000
  H                                                -0.679840000000     -2.462779000000     -0.790780000000
  H                                                -0.587050000000     -2.485409000000      0.974413000000
  H                                                -1.772163000000      1.053131000000      1.726763000000
  H                                                -2.725724000000      2.156512000000      0.723367000000
  H                                                -1.053454000000      2.555217000000      1.139441000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1
 NAtoms=     23 NQM=       23 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          16          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1          12           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           0           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Sun Jul 18 13:03:40 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.556893    0.962771   -0.130925
      2          6           0        2.806469   -0.381564    0.128707
      3          6           0        1.251477    1.398833   -0.297104
      4          6           0        0.177898    0.511952   -0.211676
      5          6           0        0.433041   -0.835657    0.047582
      6          6           0        1.746757   -1.271183    0.213760
      7          6           0       -1.245374    1.001383   -0.374974
      8          6           0       -2.153843   -0.180074   -0.705730
      9          8           0       -1.975330   -1.227911    0.235605
     10          6           0       -0.702105   -1.829642    0.110251
     11          1           0        3.377111    1.665240   -0.203600
     12          1           0        3.821503   -0.731857    0.264537
     13          1           0        1.055538    2.445124   -0.502408
     14          1           0        1.938106   -2.319299    0.415829
     15          1           0       -1.275680    1.696610   -1.220779
     16          6           0       -1.728541    1.739012    0.880156
     17          1           0       -1.947031   -0.549488   -1.719780
     18          1           0       -3.204706    0.105294   -0.652132
     19          1           0       -0.679840   -2.462779   -0.790780
     20          1           0       -0.587050   -2.485409    0.974413
     21          1           0       -1.772163    1.053131    1.726763
     22          1           0       -2.725724    2.156512    0.723367
     23          1           0       -1.053454    2.555217    1.139441
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.391738   0.000000
     3  C    1.386318   2.401901   0.000000
     4  C    2.422679   2.797073   1.395144   0.000000
     5  C    2.788719   2.417838   2.404494   1.395838   0.000000
     6  C    2.401183   1.386234   2.763199   2.412858   1.393968
     7  C    3.810287   4.310878   2.529485   1.513906   2.523955
     8  C    4.881345   5.034042   3.775729   2.481936   2.772947
     9  O    5.047225   4.857297   4.194740   2.804207   2.447339
    10  C    4.298465   3.795703   3.795454   2.522123   1.510129
    11  H    1.082359   2.150690   2.144303   3.400750   3.871063
    12  H    2.151138   1.082335   3.385309   3.879394   3.396987
    13  H    2.142297   3.384410   1.084097   2.142879   3.384304
    14  H    3.384349   2.142734   3.847628   3.392356   2.145232
    15  H    4.051533   4.775339   2.707096   2.129458   3.307695
    16  C    4.470993   5.062394   3.222138   2.516403   3.463313
    17  H    5.009663   5.103025   4.006297   2.813602   2.978289
    18  H    5.848329   6.081198   4.653693   3.435314   3.822066
    19  H    4.758807   4.163083   4.345774   3.149619   2.142167
    20  H    4.795424   4.081342   4.481548   3.313024   2.149717
    21  H    4.711677   5.057272   3.654852   2.802349   3.354116
    22  H    5.482780   6.115604   4.175352   3.465531   4.403130
    23  H    4.145397   4.954318   2.951879   2.741656   3.860032
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.803158   0.000000
     8  C    4.153392   1.526616   0.000000
     9  O    3.722403   2.423921   1.419838   0.000000
    10  C    2.513865   2.923232   2.344023   1.413823   0.000000
    11  H    3.384498   4.673055   5.852245   6.100152   5.380772
    12  H    2.144300   5.393175   6.078704   5.818091   4.657463
    13  H    3.847287   2.719342   4.151281   4.818922   4.662433
    14  H    1.084432   4.667638   4.751655   4.066767   2.702565
    15  H    4.472228   1.095283   2.135038   3.341166   3.812490
    16  C    4.645757   1.533916   2.525630   3.046142   3.792310
    17  H    4.231252   2.169338   1.098879   2.069925   2.556883
    18  H    5.211664   2.172274   1.090239   2.019128   3.253954
    19  H    2.883986   3.534564   2.718577   2.063167   1.101460
    20  H    2.738538   3.796308   3.254580   2.013569   1.090891
    21  H    4.480448   2.167368   2.753815   2.732761   3.473977
    22  H    5.657904   2.175342   2.798035   3.500760   4.512247
    23  H    4.831087   2.178230   3.478121   3.997353   4.517706
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.482481   0.000000
    13  H    2.467226   4.281586   0.000000
    14  H    4.281469   2.467802   4.931715   0.000000
    15  H    4.762783   5.838227   2.551648   5.397632   0.000000
    16  C    5.219928   6.106322   3.187660   5.489061   2.149607
    17  H    5.962408   6.103012   4.411929   4.773609   2.396804
    18  H    6.779006   7.135034   4.862808   5.785128   2.564525
    19  H    5.817574   4.936788   5.213656   2.886197   4.223795
    20  H    5.859196   4.797313   5.402708   2.591529   4.773087
    21  H    5.533173   6.050900   3.860407   5.182464   3.057542
    22  H    6.192351   7.170731   3.985444   6.471381   2.468571
    23  H    4.714417   5.944369   2.675002   5.764890   2.521355
                   16         17         18         19         20
    16  C    0.000000
    17  H    3.470538   0.000000
    18  H    2.682537   1.774925   0.000000
    19  H    4.641858   2.475782   3.604049   0.000000
    20  H    4.376942   3.585528   4.026104   1.767775   0.000000
    21  H    1.090449   3.804947   2.934232   4.460136   3.806808
    22  H    1.092366   3.727971   2.515734   5.274100   5.117068
    23  H    1.090487   4.314257   3.720180   5.389399   5.064847
                   21         22         23
    21  H    0.000000
    22  H    1.770178   0.000000
    23  H    1.765716   1.768776   0.000000
 Stoichiometry    C10H12O
 Framework group  C1[X(C10H12O)]
 Deg. of freedom    63
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.64D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.556893    0.962771   -0.130925
      2          6           0        2.806469   -0.381564    0.128707
      3          6           0        1.251477    1.398833   -0.297104
      4          6           0        0.177898    0.511952   -0.211676
      5          6           0        0.433041   -0.835657    0.047582
      6          6           0        1.746757   -1.271183    0.213760
      7          6           0       -1.245374    1.001383   -0.374974
      8          6           0       -2.153843   -0.180074   -0.705730
      9          8           0       -1.975330   -1.227911    0.235605
     10          6           0       -0.702105   -1.829642    0.110251
     11          1           0        3.377111    1.665240   -0.203600
     12          1           0        3.821503   -0.731857    0.264537
     13          1           0        1.055538    2.445124   -0.502408
     14          1           0        1.938106   -2.319299    0.415829
     15          1           0       -1.275680    1.696610   -1.220779
     16          6           0       -1.728541    1.739012    0.880156
     17          1           0       -1.947031   -0.549488   -1.719780
     18          1           0       -3.204706    0.105294   -0.652132
     19          1           0       -0.679840   -2.462779   -0.790780
     20          1           0       -0.587050   -2.485409    0.974413
     21          1           0       -1.772163    1.053131    1.726763
     22          1           0       -2.725724    2.156512    0.723367
     23          1           0       -1.053454    2.555217    1.139441
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9809331           1.0075309           0.7304582
 Leave Link  202 at Sun Jul 18 13:03:40 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     17     18     19     20     21
 Centers:      22     23
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     10     16
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       9
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 404 were deleted.
 There are   383 symmetry adapted cartesian basis functions of A   symmetry.
 There are   361 symmetry adapted basis functions of A   symmetry.
   361 basis functions,   661 primitive gaussians,   383 cartesian basis functions
    40 alpha electrons       40 beta electrons
       nuclear repulsion energy       608.7582623565 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   23 NActive=   23 NUniq=   23 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Sun Jul 18 13:03:43 2021, MaxMem=  5637144576 cpu:              14.2 elap:               2.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   361 RedAO= T EigKep=  1.17D-06  NBF=   361
 NBsUse=   361 1.00D-06 EigRej= -1.00D+00 NBFU=   361
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   383   383   383   383   383 MxSgAt=    23 MxSgA2=    23.
 Leave Link  302 at Sun Jul 18 13:03:44 2021, MaxMem=  5637144576 cpu:               5.1 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sun Jul 18 13:03:44 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "25_methylisochromane_Boat_STD_M11-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sun Jul 18 13:03:45 2021, MaxMem=  5637144576 cpu:               4.7 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636844431 LenY=  5636697301
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -463.263345243804    
 DIIS: error= 2.71D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -463.263345243804     IErMin= 1 ErrMin= 2.71D-03
 ErrMax= 2.71D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-02 BMatP= 1.24D-02
 IDIUse=3 WtCom= 9.73D-01 WtEn= 2.71D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.396 Goal=   None    Shift=    0.000
 GapD=    0.396 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.56D-02 MaxDP=5.96D+00              OVMax= 1.55D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.12D-02    CP:  1.68D+00
 E= -463.275224219966     Delta-E=       -0.011878976162 Rises=F Damp=F
 DIIS: error= 6.11D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -463.275224219966     IErMin= 2 ErrMin= 6.11D-04
 ErrMax= 6.11D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.60D-04 BMatP= 1.24D-02
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.11D-03
 Coeff-Com: -0.137D-01 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.136D-01 0.101D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=1.67D-02 MaxDP=1.23D+00 DE=-1.19D-02 OVMax= 7.09D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.94D-03    CP:  1.82D+00  1.18D+00
 E= -463.275493815442     Delta-E=       -0.000269595477 Rises=F Damp=F
 DIIS: error= 6.92D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -463.275493815442     IErMin= 2 ErrMin= 6.11D-04
 ErrMax= 6.92D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.71D-04 BMatP= 4.60D-04
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.92D-03
 Coeff-Com: -0.438D-01 0.493D+00 0.551D+00
 Coeff-En:   0.000D+00 0.150D+00 0.850D+00
 Coeff:     -0.435D-01 0.490D+00 0.553D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=1.86D-03 MaxDP=1.37D-01 DE=-2.70D-04 OVMax= 3.26D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.85D-04    CP:  1.84D+00  1.20D+00  1.12D+00
 E= -463.275744064125     Delta-E=       -0.000250248683 Rises=F Damp=F
 DIIS: error= 8.72D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -463.275744064125     IErMin= 4 ErrMin= 8.72D-05
 ErrMax= 8.72D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.29D-06 BMatP= 3.71D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.554D-02-0.112D-01 0.110D+00 0.907D+00
 Coeff:     -0.554D-02-0.112D-01 0.110D+00 0.907D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=6.22D-04 MaxDP=4.61D-02 DE=-2.50D-04 OVMax= 9.49D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.66D-04    CP:  1.85D+00  1.21D+00  1.19D+00  1.38D+00
 E= -463.275753892743     Delta-E=       -0.000009828618 Rises=F Damp=F
 DIIS: error= 3.05D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -463.275753892743     IErMin= 5 ErrMin= 3.05D-05
 ErrMax= 3.05D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.42D-07 BMatP= 9.29D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.175D-02-0.408D-01-0.169D-01 0.249D+00 0.807D+00
 Coeff:      0.175D-02-0.408D-01-0.169D-01 0.249D+00 0.807D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=8.86D-05 MaxDP=2.51D-03 DE=-9.83D-06 OVMax= 2.74D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.27D-05    CP:  1.85D+00  1.21D+00  1.21D+00  1.44D+00  1.26D+00
 E= -463.275754925146     Delta-E=       -0.000001032404 Rises=F Damp=F
 DIIS: error= 7.59D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -463.275754925146     IErMin= 6 ErrMin= 7.59D-06
 ErrMax= 7.59D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.60D-08 BMatP= 8.42D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.863D-03-0.878D-02-0.139D-01-0.615D-02 0.201D+00 0.827D+00
 Coeff:      0.863D-03-0.878D-02-0.139D-01-0.615D-02 0.201D+00 0.827D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=2.29D-05 MaxDP=1.41D-03 DE=-1.03D-06 OVMax= 9.55D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.16D-05    CP:  1.85D+00  1.21D+00  1.21D+00  1.45D+00  1.31D+00
                    CP:  1.04D+00
 E= -463.275755025969     Delta-E=       -0.000000100822 Rises=F Damp=F
 DIIS: error= 2.72D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -463.275755025969     IErMin= 7 ErrMin= 2.72D-06
 ErrMax= 2.72D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.06D-09 BMatP= 6.60D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.907D-04 0.139D-02-0.250D-02-0.261D-01-0.270D-01 0.234D+00
 Coeff-Com:  0.820D+00
 Coeff:      0.907D-04 0.139D-02-0.250D-02-0.261D-01-0.270D-01 0.234D+00
 Coeff:      0.820D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=9.28D-06 MaxDP=5.49D-04 DE=-1.01D-07 OVMax= 4.95D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.04D-06    CP:  1.85D+00  1.21D+00  1.21D+00  1.46D+00  1.33D+00
                    CP:  1.08D+00  1.13D+00
 E= -463.275755040091     Delta-E=       -0.000000014122 Rises=F Damp=F
 DIIS: error= 1.04D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -463.275755040091     IErMin= 8 ErrMin= 1.04D-06
 ErrMax= 1.04D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.53D-09 BMatP= 9.06D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.955D-04 0.177D-02 0.114D-02-0.901D-02-0.409D-01-0.367D-01
 Coeff-Com:  0.304D+00 0.780D+00
 Coeff:     -0.955D-04 0.177D-02 0.114D-02-0.901D-02-0.409D-01-0.367D-01
 Coeff:      0.304D+00 0.780D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=2.98D-06 MaxDP=1.56D-04 DE=-1.41D-08 OVMax= 1.95D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.35D-06    CP:  1.85D+00  1.21D+00  1.21D+00  1.46D+00  1.34D+00
                    CP:  1.09D+00  1.21D+00  1.09D+00
 E= -463.275755042475     Delta-E=       -0.000000002384 Rises=F Damp=F
 DIIS: error= 2.39D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -463.275755042475     IErMin= 9 ErrMin= 2.39D-07
 ErrMax= 2.39D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.65D-11 BMatP= 1.53D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.223D-04 0.213D-03 0.425D-03 0.465D-03-0.556D-02-0.268D-01
 Coeff-Com: -0.516D-02 0.156D+00 0.881D+00
 Coeff:     -0.223D-04 0.213D-03 0.425D-03 0.465D-03-0.556D-02-0.268D-01
 Coeff:     -0.516D-02 0.156D+00 0.881D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=1.87D-06 MaxDP=1.31D-04 DE=-2.38D-09 OVMax= 5.41D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.60D-07    CP:  1.85D+00  1.21D+00  1.21D+00  1.46D+00  1.34D+00
                    CP:  1.08D+00  1.23D+00  1.19D+00  1.12D+00
 E= -463.275755042670     Delta-E=       -0.000000000195 Rises=F Damp=F
 DIIS: error= 9.35D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -463.275755042670     IErMin=10 ErrMin= 9.35D-08
 ErrMax= 9.35D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.52D-11 BMatP= 7.65D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.389D-05-0.159D-03 0.121D-04 0.146D-02 0.354D-02-0.533D-02
 Coeff-Com: -0.430D-01-0.503D-01 0.306D+00 0.788D+00
 Coeff:      0.389D-05-0.159D-03 0.121D-04 0.146D-02 0.354D-02-0.533D-02
 Coeff:     -0.430D-01-0.503D-01 0.306D+00 0.788D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=9.39D-07 MaxDP=7.49D-05 DE=-1.95D-10 OVMax= 3.03D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.45D-07    CP:  1.85D+00  1.21D+00  1.21D+00  1.46D+00  1.34D+00
                    CP:  1.08D+00  1.23D+00  1.22D+00  1.25D+00  1.05D+00
 E= -463.275755042693     Delta-E=       -0.000000000023 Rises=F Damp=F
 DIIS: error= 4.10D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -463.275755042693     IErMin=11 ErrMin= 4.10D-08
 ErrMax= 4.10D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-12 BMatP= 1.52D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.295D-05-0.442D-04-0.455D-04 0.150D-03 0.967D-03 0.201D-02
 Coeff-Com: -0.394D-02-0.230D-01-0.526D-01 0.986D-01 0.978D+00
 Coeff:      0.295D-05-0.442D-04-0.455D-04 0.150D-03 0.967D-03 0.201D-02
 Coeff:     -0.394D-02-0.230D-01-0.526D-01 0.986D-01 0.978D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=1.52D-07 MaxDP=1.23D-05 DE=-2.30D-11 OVMax= 1.48D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  6.08D-08    CP:  1.85D+00  1.21D+00  1.21D+00  1.46D+00  1.34D+00
                    CP:  1.08D+00  1.23D+00  1.22D+00  1.28D+00  1.12D+00
                    CP:  1.21D+00
 E= -463.275755042707     Delta-E=       -0.000000000014 Rises=F Damp=F
 DIIS: error= 2.11D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -463.275755042707     IErMin=12 ErrMin= 2.11D-08
 ErrMax= 2.11D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.08D-13 BMatP= 1.22D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.221D-06 0.190D-04-0.105D-04-0.213D-03-0.428D-03 0.131D-02
 Coeff-Com:  0.670D-02 0.314D-02-0.626D-01-0.108D+00 0.233D+00 0.927D+00
 Coeff:     -0.221D-06 0.190D-04-0.105D-04-0.213D-03-0.428D-03 0.131D-02
 Coeff:      0.670D-02 0.314D-02-0.626D-01-0.108D+00 0.233D+00 0.927D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=9.34D-08 MaxDP=4.87D-06 DE=-1.39D-11 OVMax= 8.62D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.65D-08    CP:  1.85D+00  1.21D+00  1.21D+00  1.46D+00  1.34D+00
                    CP:  1.08D+00  1.23D+00  1.22D+00  1.30D+00  1.13D+00
                    CP:  1.37D+00  1.42D+00
 E= -463.275755042706     Delta-E=        0.000000000001 Rises=F Damp=F
 DIIS: error= 1.11D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -463.275755042707     IErMin=13 ErrMin= 1.11D-08
 ErrMax= 1.11D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.05D-14 BMatP= 3.08D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.680D-06 0.159D-04 0.713D-05-0.105D-03-0.356D-03-0.188D-04
 Coeff-Com:  0.309D-02 0.606D-02-0.962D-02-0.591D-01-0.146D+00 0.283D+00
 Coeff-Com:  0.923D+00
 Coeff:     -0.680D-06 0.159D-04 0.713D-05-0.105D-03-0.356D-03-0.188D-04
 Coeff:      0.309D-02 0.606D-02-0.962D-02-0.591D-01-0.146D+00 0.283D+00
 Coeff:      0.923D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=5.06D-08 MaxDP=2.34D-06 DE= 1.36D-12 OVMax= 5.01D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  1.26D-08    CP:  1.85D+00  1.21D+00  1.21D+00  1.46D+00  1.34D+00
                    CP:  1.08D+00  1.23D+00  1.22D+00  1.30D+00  1.13D+00
                    CP:  1.42D+00  1.74D+00  1.38D+00
 E= -463.275755042780     Delta-E=       -0.000000000075 Rises=F Damp=F
 DIIS: error= 3.99D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -463.275755042780     IErMin=14 ErrMin= 3.99D-09
 ErrMax= 3.99D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-14 BMatP= 7.05D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.156D-06 0.105D-05 0.416D-05 0.710D-05-0.212D-04-0.234D-03
 Coeff-Com: -0.334D-03 0.105D-02 0.843D-02 0.455D-02-0.699D-01-0.107D+00
 Coeff-Com:  0.234D+00 0.930D+00
 Coeff:     -0.156D-06 0.105D-05 0.416D-05 0.710D-05-0.212D-04-0.234D-03
 Coeff:     -0.334D-03 0.105D-02 0.843D-02 0.455D-02-0.699D-01-0.107D+00
 Coeff:      0.234D+00 0.930D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=1.87D-08 MaxDP=8.50D-07 DE=-7.46D-11 OVMax= 1.66D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  5.27D-09    CP:  1.85D+00  1.21D+00  1.21D+00  1.46D+00  1.34D+00
                    CP:  1.08D+00  1.23D+00  1.22D+00  1.31D+00  1.13D+00
                    CP:  1.44D+00  1.83D+00  1.62D+00  1.41D+00
 E= -463.275755042825     Delta-E=       -0.000000000045 Rises=F Damp=F
 DIIS: error= 1.22D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=15 EnMin= -463.275755042825     IErMin=15 ErrMin= 1.22D-09
 ErrMax= 1.22D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.46D-15 BMatP= 1.08D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.753D-07-0.237D-05-0.605D-07 0.188D-04 0.530D-04-0.574D-04
 Coeff-Com: -0.594D-03-0.729D-03 0.386D-02 0.107D-01 0.631D-02-0.807D-01
 Coeff-Com: -0.794D-01 0.270D+00 0.871D+00
 Coeff:      0.753D-07-0.237D-05-0.605D-07 0.188D-04 0.530D-04-0.574D-04
 Coeff:     -0.594D-03-0.729D-03 0.386D-02 0.107D-01 0.631D-02-0.807D-01
 Coeff:     -0.794D-01 0.270D+00 0.871D+00
 Gap=     0.327 Goal=   None    Shift=    0.000
 RMSDP=5.84D-09 MaxDP=2.82D-07 DE=-4.46D-11 OVMax= 5.66D-08

 SCF Done:  E(RM11) =  -463.275755043     A.U. after   15 cycles
            NFock= 15  Conv=0.58D-08     -V/T= 2.0064
 KE= 4.603383219877D+02 PE=-2.293937181296D+03 EE= 7.615648419087D+02
 Leave Link  502 at Sun Jul 18 13:16:32 2021, MaxMem=  5637144576 cpu:            6101.0 elap:             766.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   361
 NBasis=   361 NAE=    40 NBE=    40 NFC=     0 NFV=     0
 NROrb=    361 NOA=    40 NOB=    40 NVA=   321 NVB=   321

 **** Warning!!: The largest alpha MO coefficient is  0.15083783D+03

 Leave Link  801 at Sun Jul 18 13:16:33 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7107 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          23
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.14D-13 8.33D-09 XBig12= 1.00D+00 3.08D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.14D-13 8.33D-09 XBig12= 1.76D-01 5.90D-02.
     11 vectors produced by pass  2 Test12= 2.14D-13 8.33D-09 XBig12= 2.97D-02 4.34D-02.
     11 vectors produced by pass  3 Test12= 2.14D-13 8.33D-09 XBig12= 2.77D-03 1.05D-02.
     11 vectors produced by pass  4 Test12= 2.14D-13 8.33D-09 XBig12= 3.25D-04 2.89D-03.
     11 vectors produced by pass  5 Test12= 2.14D-13 8.33D-09 XBig12= 2.13D-05 7.31D-04.
     11 vectors produced by pass  6 Test12= 2.14D-13 8.33D-09 XBig12= 8.03D-07 1.29D-04.
     11 vectors produced by pass  7 Test12= 2.14D-13 8.33D-09 XBig12= 2.26D-08 1.45D-05.
     11 vectors produced by pass  8 Test12= 2.14D-13 8.33D-09 XBig12= 6.67D-10 2.73D-06.
     11 vectors produced by pass  9 Test12= 2.14D-13 8.33D-09 XBig12= 2.10D-11 4.30D-07.
      8 vectors produced by pass 10 Test12= 2.14D-13 8.33D-09 XBig12= 5.32D-13 7.97D-08.
      3 vectors produced by pass 11 Test12= 2.14D-13 8.33D-09 XBig12= 3.72D-14 3.00D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.20D-14
 Solved reduced A of dimension   121 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.149530D+03
      2 -0.246446D+01  0.131278D+03
      3  0.271985D+01 -0.377854D+01  0.881140D+02
 Isotropic polarizability for W=    0.085645      122.97 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.141182D+03  0.146549D+02  0.345254D+01
      2  -0.727199D+02  0.692257D+01  0.100456D+02
      3  -0.684616D+02 -0.215775D+02 -0.134981D+02
      4   0.530261D+02  0.691006D+02 -0.277788D+02
      5   0.172720D+01 -0.290311D+02 -0.142458D+02
      6  -0.128251D+02  0.750482D+01  0.155461D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.223227D+01 -0.532220D+01 -0.119389D+02
      2   0.727336D+01 -0.121315D+02 -0.365600D+01
      3   0.622186D+01 -0.494593D+02  0.931553D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.125227D+01 -0.254074D+01 -0.371236D+02
      2   0.172534D+01 -0.149538D+02  0.542158D+02
      3   0.383712D+02 -0.141821D+03  0.162060D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.172104D+01 -0.589715D+00  0.158521D+01
      2  -0.589715D+00  0.203546D+01  0.232824D+01
      3   0.158521D+01  0.232824D+01 -0.898083D+00
 OR G Eigenvalues:    -3.6446    -0.2732     3.3341  Iso=     0.1946
 Eigenvectors:
   (1)  -0.657769  -0.343135   0.670521
   (2)   0.751223  -0.363633   0.550850
   (3)   0.054808   0.866042   0.496958
 w=    0.085645 a.u., Optical Rotation Beta=      0.1946 au.
 Molar Mass =    148.2042 grams/mole, [Alpha] ( 5320.0 A) =       62.26 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   65341 ScalPx= 3.89D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   65341 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.44D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.57D-14 2.78D-09 XBig12= 1.00D+00 3.07D-01.
     30 vectors produced by pass  1 Test12= 3.57D-14 2.78D-09 XBig12= 3.23D-02 2.83D-02.
     30 vectors produced by pass  2 Test12= 3.57D-14 2.78D-09 XBig12= 2.01D-03 6.43D-03.
     30 vectors produced by pass  3 Test12= 3.57D-14 2.78D-09 XBig12= 3.55D-05 8.35D-04.
     30 vectors produced by pass  4 Test12= 3.57D-14 2.78D-09 XBig12= 6.91D-07 1.15D-04.
     30 vectors produced by pass  5 Test12= 3.57D-14 2.78D-09 XBig12= 1.16D-08 1.05D-05.
     30 vectors produced by pass  6 Test12= 3.57D-14 2.78D-09 XBig12= 1.44D-10 1.18D-06.
     30 vectors produced by pass  7 Test12= 3.57D-14 2.78D-09 XBig12= 1.45D-12 1.09D-07.
     22 vectors produced by pass  8 Test12= 3.57D-14 2.78D-09 XBig12= 1.54D-14 1.17D-08.
      7 vectors produced by pass  9 Test12= 3.57D-14 2.78D-09 XBig12= 1.26D-15 8.79D-09.
      4 vectors produced by pass 10 Test12= 3.57D-14 2.78D-09 XBig12= 1.93D-15 4.79D-09.
      4 vectors produced by pass 11 Test12= 3.57D-14 2.78D-09 XBig12= 4.25D-15 7.92D-09.
      2 vectors produced by pass 12 Test12= 3.57D-14 2.78D-09 XBig12= 1.75D-15 3.61D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   279 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   65341 ScalPx= 7.82D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   65341 ScalPx= 7.82D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   65341 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 7.90D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.149530D+03 -0.246446D+01  0.271985D+01
      2  -0.246446D+01  0.131278D+03 -0.377854D+01
      3   0.271985D+01 -0.377854D+01  0.881140D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.223227D+01 -0.532220D+01 -0.119389D+02
      2   0.727336D+01 -0.121315D+02 -0.365600D+01
      3   0.622186D+01 -0.494593D+02  0.931553D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.141182D+03  0.146549D+02  0.345254D+01
      2  -0.727199D+02  0.692257D+01  0.100456D+02
      3  -0.684616D+02 -0.215775D+02 -0.134981D+02
      4   0.530261D+02  0.691006D+02 -0.277788D+02
      5   0.172720D+01 -0.290311D+02 -0.142458D+02
      6  -0.128251D+02  0.750482D+01  0.155461D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.221319D+01  0.172316D+01 -0.359950D+00  0.402548D+01 -0.114657D+01
      2   0.172316D+01  0.180340D+01 -0.509139D+00 -0.114657D+01  0.242645D+01
      3  -0.359950D+00 -0.509139D+00  0.247956D+01  0.868961D+00  0.102072D+01
                 6             7             8             9            10 
      1   0.868961D+00 -0.114805D+01  0.833284D+00  0.409926D+01  0.493542D+01
      2   0.102072D+01  0.833284D+00  0.687163D+00  0.280107D+01 -0.986046D+00
      3   0.203059D+01  0.409926D+01  0.280107D+01 -0.757823D+00 -0.452756D+00
                11            12            13            14            15 
      1  -0.986046D+00 -0.452756D+00 -0.187374D+01 -0.129981D+01  0.115496D+01
      2   0.258928D+01  0.144447D-01 -0.129981D+01 -0.256965D+01 -0.828762D+00
      3   0.144447D-01  0.291328D+01  0.115496D+01 -0.828762D+00 -0.934300D+00
                16            17            18            19            20 
      1  -0.120937D+00  0.122733D+01  0.494981D+01  0.387823D-01 -0.470698D+01
      2   0.122733D+01  0.147983D+00 -0.129450D+01 -0.470698D+01  0.175112D+00
      3   0.494981D+01 -0.129450D+01  0.132084D+01  0.282977D+00 -0.226063D+00
                21            22            23            24            25 
      1   0.282977D+00  0.450907D+01 -0.899546D+00 -0.111122D+00 -0.778098D+00
      2  -0.226063D+00 -0.899546D+00  0.181264D+01  0.978306D+00 -0.985133D+00
      3  -0.784507D+00 -0.111122D+00  0.978306D+00  0.199370D+01  0.830400D-01
                26            27            28            29            30 
      1  -0.985133D+00  0.830400D-01 -0.113469D+02  0.547153D+01 -0.322770D+00
      2   0.119411D+01  0.334365D+01  0.547153D+01 -0.556102D+01  0.202561D+00
      3   0.334365D+01 -0.213404D+01 -0.322770D+00  0.202561D+00 -0.187091D+01
                31            32            33            34            35 
      1   0.928294D+01  0.137548D+01 -0.666382D+00 -0.184593D+01 -0.815872D+00
      2   0.137548D+01  0.227996D+01 -0.332319D+00 -0.815872D+00 -0.205678D+00
      3  -0.666382D+00 -0.332319D+00  0.407533D+00 -0.293314D+01  0.175295D+01
                36            37            38            39            40 
      1  -0.293314D+01 -0.128377D+01 -0.415484D+01  0.561696D+00 -0.124666D+02
      2   0.175295D+01 -0.415484D+01 -0.636383D+01  0.266596D+00 -0.239410D+01
      3  -0.912406D+00  0.561696D+00  0.266596D+00 -0.150844D+01 -0.418333D+00
                41            42            43            44            45 
      1  -0.239410D+01 -0.418333D+00  0.274408D+01 -0.119011D+00 -0.189219D+01
      2  -0.528833D+01 -0.164525D+00 -0.119011D+00 -0.523475D+00 -0.280645D+01
      3  -0.164525D+00 -0.911583D+00 -0.189219D+01 -0.280645D+01  0.498291D+00
                46            47            48            49            50 
      1  -0.303908D+01  0.342601D+01 -0.276602D+00 -0.401783D+01  0.448023D+00
      2   0.342601D+01  0.251991D+01  0.380416D+00  0.448023D+00 -0.102902D+01
      3  -0.276602D+00  0.380416D+00 -0.365684D+00  0.403768D-01 -0.905433D+00
                51            52            53            54            55 
      1   0.403768D-01  0.492587D+00  0.531156D+00  0.127939D+01  0.152175D+01
      2  -0.905433D+00  0.531156D+00 -0.136330D+01 -0.325354D+01 -0.613890D+00
      3  -0.221297D+01  0.127939D+01 -0.325354D+01  0.206136D+01 -0.300392D+00
                56            57            58            59            60 
      1  -0.613890D+00 -0.300392D+00 -0.210411D+01  0.455802D+01  0.147357D+01
      2   0.311932D+01  0.175175D+01  0.455802D+01 -0.161717D+01  0.204513D+01
      3   0.175175D+01  0.211149D+01  0.147357D+01  0.204513D+01 -0.407497D+01
                61            62            63            64            65 
      1  -0.220252D+01  0.201588D+01  0.358412D+01  0.726002D+01 -0.268293D+01
      2   0.201588D+01  0.635232D+00 -0.520472D+01 -0.268293D+01 -0.179381D+01
      3   0.358412D+01 -0.520472D+01  0.134522D+01 -0.586861D-01 -0.113545D+01
                66            67            68            69            70 
      1  -0.586861D-01 -0.452111D+01 -0.101242D+01 -0.105682D+01 -0.254265D+00
      2  -0.113545D+01 -0.101242D+01 -0.456439D-01 -0.138678D+01 -0.261372D+00
      3  -0.232585D+01 -0.105682D+01 -0.138678D+01  0.148905D+01 -0.206786D-01
                71            72            73            74            75 
      1  -0.261372D+00 -0.206786D-01 -0.616291D+01 -0.474889D+00  0.105773D+01
      2  -0.922777D+00  0.372732D+01 -0.474889D+00  0.126486D+01  0.912776D+00
      3   0.372732D+01  0.668788D+01  0.105773D+01  0.912776D+00  0.422614D+00
                76            77            78            79            80 
      1   0.858721D+00 -0.168012D+01  0.543050D+00  0.110830D+01 -0.110471D+00
      2  -0.168012D+01 -0.306889D+01  0.136461D+01 -0.110471D+00  0.140020D+01
      3   0.543050D+00  0.136461D+01  0.817542D-01 -0.127446D+01 -0.214474D+01
                81            82            83            84            85 
      1  -0.127446D+01  0.250443D+01 -0.140412D+00  0.404908D-01  0.123718D+01
      2  -0.214474D+01 -0.140412D+00 -0.127448D+01 -0.225341D+00  0.370133D+01
      3   0.129965D+00  0.404908D-01 -0.225341D+00 -0.908596D+00  0.439625D+00
                86            87            88            89            90 
      1   0.370133D+01  0.439625D+00  0.421186D+00  0.106653D+01  0.128817D+01
      2   0.867028D+01  0.638321D+00  0.106653D+01  0.212260D+01  0.682189D+01
      3   0.638321D+00  0.400178D+01  0.128817D+01  0.682189D+01  0.850315D+00
                91            92            93            94            95 
      1   0.782490D+01  0.441940D+01 -0.376908D+00  0.455132D+01  0.424731D+01
      2   0.441940D+01  0.314707D+01 -0.225651D+00  0.424731D+01  0.450071D+01
      3  -0.376908D+00 -0.225651D+00  0.670568D+00 -0.537797D+00 -0.442744D+00
                96            97            98            99           100 
      1  -0.537797D+00 -0.354421D+00 -0.446471D+00  0.513225D-01  0.122936D+02
      2  -0.442744D+00 -0.446471D+00 -0.660839D+00  0.803506D-01 -0.297880D+01
      3   0.604062D+00  0.513225D-01  0.803506D-01 -0.123584D+00  0.124799D+01
               101           102           103           104           105 
      1  -0.297880D+01  0.124799D+01 -0.297900D+01  0.237735D+01 -0.630215D+00
      2   0.141376D+01 -0.317136D+00  0.237735D+01 -0.137394D+01  0.326807D+00
      3  -0.317136D+00  0.904600D+00 -0.630215D+00  0.326807D+00 -0.355114D+00
               106           107           108           109           110 
      1   0.151206D+01 -0.645010D+00  0.149749D+00 -0.448638D+00  0.135370D+01
      2  -0.645010D+00  0.428935D+00 -0.109252D+00  0.135370D+01 -0.980156D+00
      3   0.149749D+00 -0.109252D+00  0.207865D+00 -0.223734D+00  0.305415D+00
               111           112           113           114           115 
      1  -0.223734D+00  0.108242D+01 -0.556304D+00  0.394401D-01 -0.221463D+00
      2   0.305415D+00 -0.556304D+00  0.972379D+01 -0.173659D+01  0.288709D+00
      3  -0.150052D+00  0.394401D-01 -0.173659D+01  0.114389D+01  0.348899D-01
               116           117           118           119           120 
      1   0.288709D+00  0.348899D-01  0.113107D+01 -0.170978D+01  0.372743D+00
      2  -0.192523D+01  0.488790D+00 -0.170978D+01  0.170804D+01 -0.378586D+00
      3   0.488790D+00 -0.280103D+00  0.372743D+00 -0.378586D+00  0.337355D+00
               121           122           123           124           125 
      1  -0.161627D+01  0.247132D+01 -0.461440D+00  0.279528D+00 -0.546238D+00
      2   0.247132D+01 -0.101555D+02  0.171748D+01 -0.546238D+00  0.194404D+01
      3  -0.461440D+00  0.171748D+01 -0.115503D+01  0.234468D+00 -0.535436D+00
               126           127           128           129           130 
      1   0.234468D+00 -0.268551D+00  0.940470D+00 -0.119468D+01  0.214738D+01
      2  -0.535436D+00  0.940470D+00 -0.572887D+00  0.108190D+00 -0.195793D+01
      3   0.275069D+00 -0.119468D+01  0.108190D+00 -0.673733D+00  0.488627D+00
               131           132           133           134           135 
      1  -0.195793D+01  0.488627D+00 -0.167047D+01  0.838899D+00 -0.162194D+01
      2   0.445619D+01 -0.262368D+01  0.838899D+00 -0.280270D+01  0.336197D+01
      3  -0.262368D+01  0.298717D+01 -0.162194D+01  0.336197D+01 -0.525130D+01
               136           137           138           139           140 
      1   0.619945D+01 -0.507638D+01  0.206112D+00 -0.262862D+01 -0.194689D+01
      2  -0.507638D+01 -0.106209D+01 -0.232564D+01 -0.194689D+01 -0.111959D+01
      3   0.206112D+00 -0.232564D+01 -0.144145D+01 -0.236994D+01 -0.131989D+01
               141           142           143           144           145 
      1  -0.236994D+01  0.440640D+01 -0.392874D+01 -0.213331D+01 -0.615949D+00
      2  -0.131989D+01 -0.392874D+01  0.557843D+00  0.388346D+01 -0.109528D+00
      3   0.355071D+01 -0.213331D+01  0.388346D+01 -0.801057D+00 -0.106156D+01
               146           147           148           149           150 
      1  -0.109528D+00 -0.106156D+01 -0.959869D-01 -0.188511D+00 -0.348714D+00
      2   0.563747D+00  0.344371D+00 -0.188511D+00 -0.152352D+01 -0.175505D+01
      3   0.344371D+00  0.119076D+01 -0.348714D+00 -0.175505D+01 -0.231825D+01
               151           152           153           154           155 
      1  -0.143203D+01 -0.344142D+00 -0.158484D+01 -0.122517D+02  0.141691D+01
      2  -0.344142D+00 -0.173068D+01 -0.212783D+01  0.141691D+01 -0.118001D+01
      3  -0.158484D+01 -0.212783D+01 -0.908478D+01 -0.108183D+01  0.139795D+00
               156           157           158           159           160 
      1  -0.108183D+01  0.251518D+01 -0.155365D+01  0.370951D+00  0.285405D+00
      2   0.139795D+00 -0.155365D+01  0.945380D+00 -0.176956D-01  0.641759D-01
      3  -0.104708D+01  0.370951D+00 -0.176956D-01  0.322003D-01 -0.138008D+01
               161           162           163           164           165 
      1   0.641759D-01 -0.138008D+01 -0.566740D+00 -0.107720D+01 -0.104213D+01
      2   0.252923D+00 -0.243587D-01 -0.107720D+01  0.290125D+00 -0.108921D+00
      3  -0.243587D-01 -0.611122D+00 -0.104213D+01 -0.108921D+00 -0.212205D+00
               166           167           168           169           170 
      1  -0.147377D+01 -0.169007D+01 -0.496205D+00 -0.252486D+01 -0.136769D+01
      2  -0.169007D+01 -0.751355D+01 -0.296916D+01 -0.136769D+01 -0.567828D+01
      3  -0.496205D+00 -0.296916D+01 -0.228801D+01 -0.931223D+00 -0.457788D+01
               171           172           173           174           175 
      1  -0.931223D+00 -0.143582D-01 -0.533969D+00  0.918454D+00 -0.117342D+01
      2  -0.457788D+01 -0.533969D+00  0.643912D+00 -0.275129D+00 -0.131297D+01
      3  -0.427974D+01  0.918454D+00 -0.275129D+00  0.214657D+00  0.297924D+00
               176           177           178           179           180 
      1  -0.131297D+01  0.297924D+00  0.164127D+01  0.730597D+00 -0.613890D+00
      2  -0.634595D+01  0.285647D+01  0.730597D+00  0.428409D+01 -0.412975D+01
      3   0.285647D+01 -0.253498D+01 -0.613890D+00 -0.412975D+01  0.408683D+01
               181           182           183           184           185 
      1  -0.905544D+00 -0.393432D-01  0.856790D+00 -0.948723D+00  0.168875D+00
      2  -0.393432D-01  0.976071D-01  0.323458D+00  0.168875D+00 -0.187492D+01
      3   0.856790D+00  0.323458D+00 -0.103896D+00  0.876823D+00  0.109763D+01
               186           187           188           189           190 
      1   0.876823D+00  0.104210D+01  0.427338D+00 -0.971870D+00 -0.105119D+02
      2   0.109763D+01  0.427338D+00  0.136135D+01 -0.136744D+01  0.478846D+01
      3  -0.307166D+01 -0.971870D+00 -0.136744D+01  0.553081D+01  0.711567D+00
               191           192           193           194           195 
      1   0.478846D+01  0.711567D+00  0.374605D+01 -0.284208D+01 -0.478279D-01
      2  -0.310856D+01 -0.374435D+00 -0.284208D+01  0.298434D+01  0.410764D+00
      3  -0.374435D+00 -0.124420D+01 -0.478279D-01  0.410764D+00  0.270894D+00
               196           197           198           199           200 
      1  -0.152459D+01  0.868526D+00 -0.101613D+01  0.149340D+01  0.174535D+01
      2   0.868526D+00 -0.670254D+00  0.261511D+00  0.174535D+01  0.256072D+01
      3  -0.101613D+01  0.261511D+00 -0.145288D+00  0.495444D+00  0.135172D+01
               201           202           203           204           205 
      1   0.495444D+00  0.194347D+01  0.113330D+01  0.550502D+00  0.144713D+00
      2   0.135172D+01  0.113330D+01  0.572592D+01  0.202639D+01  0.677716D+00
      3   0.139171D+01  0.550502D+00  0.202639D+01  0.126353D+01  0.619520D+00
               206           207 
      1   0.677716D+00  0.619520D+00
      2   0.146675D+01  0.105295D+01
      3   0.105295D+01  0.138681D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.628995D+00 -0.102578D+01 -0.427163D+01 -0.158363D+01  0.898509D+00
      2  -0.128392D+01 -0.456639D+00  0.580649D+01  0.233413D+01  0.246700D+01
      3  -0.365310D+01 -0.124962D+02  0.120467D+01  0.752126D+01 -0.864737D+00
                 6             7             8             9            10 
      1  -0.137207D+00 -0.765978D+01  0.588192D+01 -0.189065D+01 -0.591561D+00
      2   0.719109D+01  0.172118D+01  0.104679D+02 -0.279193D+01  0.602944D+00
      3  -0.219809D+01 -0.186517D+01 -0.310513D+01 -0.397648D+01  0.309649D+01
                11            12            13            14            15 
      1  -0.385345D-01  0.238967D+01 -0.218795D+00  0.213553D+01  0.209737D+01
      2   0.240374D+00  0.897583D+01  0.376200D+01 -0.117599D+01 -0.363240D+01
      3  -0.109637D+02  0.330048D+00  0.100717D+02 -0.331759D+00  0.286740D+01
                16            17            18            19            20 
      1   0.491894D+01  0.101952D+02 -0.193579D+01  0.518678D+00  0.122968D+01
      2   0.773416D+01 -0.590434D+01  0.375659D+01  0.280963D+01 -0.344983D+01
      3  -0.253587D+01  0.192526D+01  0.155549D+01  0.522643D+01 -0.598147D+01
                21            22            23            24            25 
      1   0.290158D+01  0.389083D-01 -0.397725D+00 -0.376693D+01  0.222556D+01
      2  -0.219882D+01 -0.151145D+01 -0.167214D+00  0.373594D+01 -0.134257D+02
      3   0.248190D+01  0.488561D+01 -0.771895D+01 -0.560730D+00  0.274930D+01
                26            27            28            29            30 
      1   0.863045D+00  0.127927D+01 -0.799437D+00 -0.219871D+00  0.169458D+01
      2   0.483935D+01 -0.366417D+01 -0.132843D+01  0.218409D+01 -0.254700D+01
      3  -0.197197D+01 -0.696023D+01 -0.130317D+01  0.100641D+02 -0.949451D+00
                31            32            33            34            35 
      1  -0.660000D+00  0.205774D+01 -0.294240D+00  0.205424D+01  0.922050D+01
      2   0.193832D+01 -0.704784D+00 -0.709885D-01 -0.150196D+02  0.138464D+01
      3   0.117908D+02 -0.100589D+02 -0.192258D+01  0.788671D+00  0.270132D+01
                36            37            38            39            40 
      1  -0.777992D+00  0.134335D+01 -0.721827D+00 -0.121924D+01 -0.144200D+01
      2  -0.103191D+01  0.138154D+01  0.748871D+00 -0.184704D+01 -0.294247D+01
      3  -0.193196D+01 -0.549006D+01  0.630288D+01 -0.248816D+01  0.115388D+02
                41            42            43            44            45 
      1   0.431267D+00 -0.874683D+00 -0.293220D+01  0.719644D+01 -0.730357D+00
      2   0.288443D+01 -0.649012D+00 -0.139271D+02 -0.855009D+00 -0.776926D+00
      3   0.154501D+02  0.961861D+00  0.219012D+00 -0.241652D+01  0.346109D+01
                46            47            48            49            50 
      1   0.138221D+00  0.627779D+00 -0.149107D+01  0.124085D+01 -0.499343D+00
      2  -0.101856D+01 -0.185448D+01 -0.113905D+01 -0.183929D+01 -0.217610D+01
      3  -0.824301D+00 -0.120748D+02  0.171556D+01  0.980743D+00  0.510517D+01
                51            52            53            54            55 
      1  -0.355322D+01  0.146692D+01  0.148871D+01  0.792634D+00  0.753529D+00
      2  -0.579596D+01 -0.101356D+02 -0.846025D+01  0.349107D+01 -0.502774D+00
      3   0.116522D+01  0.979474D+00  0.107519D+01  0.678596D+01  0.346098D+01
                56            57            58            59            60 
      1  -0.334710D+01 -0.309044D+01 -0.228601D+01 -0.393001D+01  0.113320D+01
      2  -0.151244D+01  0.834817D+00 -0.350881D+01 -0.109256D+00  0.678828D+01
      3  -0.609399D+00  0.207027D+01  0.133810D+02  0.644257D+01  0.719643D+01
                61            62            63            64            65 
      1  -0.697154D+01  0.988174D+01 -0.278925D-01  0.309578D+01  0.199917D+01
      2  -0.114408D+02  0.994841D+01 -0.179035D+00  0.886260D+01 -0.161330D+01
      3   0.326776D+00  0.686628D+01 -0.544673D+01 -0.118978D+02 -0.792999D+01
                66            67            68            69            70 
      1   0.179229D+01 -0.215937D+00  0.237744D+01  0.158167D+01  0.217614D+01
      2   0.678717D+01 -0.252093D+01  0.164645D+01 -0.615413D+01 -0.265902D+01
      3  -0.376901D+01 -0.547344D+01  0.176267D+01 -0.502477D+01  0.987585D+00
                71            72            73            74            75 
      1   0.177528D+01 -0.259388D+01  0.648328D+00  0.100758D+01  0.868930D+00
      2  -0.107994D+02 -0.178310D+02  0.124851D+01 -0.113772D+01  0.620594D+01
      3  -0.313806D+01  0.832225D+01  0.144950D+02 -0.681304D+01  0.910650D+00
                76            77            78            79            80 
      1  -0.101561D+01  0.215024D+01 -0.789441D+01 -0.441301D+01  0.197433D+01
      2   0.227738D+00 -0.440319D+01 -0.518550D+00 -0.344731D+01  0.562895D+01
      3   0.315524D+01 -0.589101D+01  0.577738D+01 -0.291341D+01  0.769467D+01
                81            82            83            84            85 
      1   0.432962D+01 -0.110760D+00  0.295072D+00 -0.410119D+01  0.126311D+01
      2  -0.122602D+01 -0.227421D+01  0.533268D+00 -0.161081D+01  0.516308D+00
      3  -0.267667D+01 -0.600914D+01  0.448721D-01 -0.886368D+00  0.863260D+01
                86            87            88            89            90 
      1   0.184484D+01  0.101305D+02  0.612822D+01  0.228688D+02  0.177714D+01
      2   0.504309D-01 -0.705359D+00 -0.531336D+01 -0.507415D+01 -0.843217D-02
      3  -0.354346D+01 -0.104838D+01 -0.206909D+01 -0.279627D+01  0.387443D+01
                91            92            93            94            95 
      1  -0.156977D+00 -0.375868D+00 -0.233944D+01  0.241444D+00 -0.133619D+00
      2   0.343926D+00  0.181070D+00  0.406451D+01 -0.894168D+00 -0.714825D+00
      3  -0.267106D+01 -0.620992D+01  0.936451D-01 -0.530010D+01 -0.936996D+01
                96            97            98            99           100 
      1  -0.239354D+01  0.117705D+01  0.118914D+01  0.171667D+00  0.229383D+00
      2   0.322986D+01 -0.177647D+01 -0.868205D+00 -0.264776D+00  0.182980D+01
      3   0.665742D+00  0.899936D+00  0.124203D+01 -0.519875D-01  0.261349D+01
               101           102           103           104           105 
      1   0.384488D+00  0.145894D+01 -0.115189D+00 -0.121997D+00 -0.865061D+00
      2  -0.497248D+00  0.589445D+01 -0.181962D+01  0.849551D+00 -0.214141D+01
      3  -0.592086D+01  0.347158D+00 -0.510074D+01  0.395582D+01 -0.707191D+00
               106           107           108           109           110 
      1  -0.761185D+00  0.651735D+00  0.176415D+00 -0.380207D+00 -0.510650D-01
      2  -0.237312D+01  0.464683D+00  0.593189D+00 -0.628710D+00  0.727099D+00
      3   0.124391D+01 -0.118458D+01  0.229265D+00 -0.440018D+01  0.388584D+01
               111           112           113           114           115 
      1   0.773530D+00  0.384476D+00 -0.100608D+01 -0.459641D+01 -0.230175D+00
      2  -0.140959D+00  0.101254D+01 -0.247242D+01  0.102253D+01 -0.159734D+01
      3  -0.650253D+00  0.638542D+01 -0.155637D+02  0.276523D+01 -0.127050D+01
               116           117           118           119           120 
      1   0.222084D+01  0.560420D+00  0.577564D-01 -0.378986D+00  0.105549D+01
      2   0.577280D+00 -0.913594D-01  0.430726D+00 -0.375552D+00  0.883075D+00
      3   0.336724D+01 -0.379060D+00  0.164202D+01 -0.894259D+00  0.284479D+00
               121           122           123           124           125 
      1  -0.255906D+00 -0.367556D+00 -0.465080D+01 -0.759823D-02  0.199564D+01
      2  -0.125924D+00  0.326021D+01 -0.272433D+01 -0.121985D+01 -0.185819D+00
      3   0.125207D+01  0.173592D+02 -0.286109D+01 -0.113309D+00 -0.318232D+01
               126           127           128           129           130 
      1   0.637187D+00  0.100748D+01  0.388064D+00  0.963409D+00 -0.993331D-01
      2   0.374943D+00  0.147807D+01  0.141809D+00  0.108764D+01  0.928730D+00
      3   0.182770D+00  0.212699D+01 -0.200872D+01 -0.155638D+01  0.156910D+01
               131           132           133           134           135 
      1  -0.770971D-01 -0.398069D+01  0.206043D+01 -0.234583D+00  0.510288D+01
      2   0.286088D+01 -0.443766D+01 -0.705106D+00 -0.440481D+01  0.677776D+01
      3   0.544095D+01 -0.435757D+01 -0.200508D+01 -0.505035D+01  0.465480D+01
               136           137           138           139           140 
      1  -0.633723D+01  0.244344D+01  0.580800D+00  0.548588D+01 -0.601065D+00
      2  -0.722584D+01  0.115975D+02  0.619959D+01  0.104112D+02  0.341555D+01
      3   0.207519D+01 -0.177175D+02 -0.517763D+01 -0.969941D+01 -0.815769D+01
               141           142           143           144           145 
      1  -0.135489D+02  0.525516D+00 -0.789033D+01  0.573560D+01  0.881033D-01
      2  -0.467540D+01  0.236067D+01 -0.545881D+01  0.318941D+01  0.270778D+01
      3  -0.926101D+01 -0.269752D+01 -0.967591D+01  0.492304D+01  0.607760D+00
               146           147           148           149           150 
      1  -0.166006D+01 -0.321515D-01 -0.233710D+00  0.280970D+01  0.462924D+00
      2  -0.611596D+00 -0.324491D+01 -0.673105D+00  0.391974D+01  0.511395D+01
      3   0.181055D+01  0.781187D+00  0.259109D+01 -0.400986D+01 -0.388169D+01
               151           152           153           154           155 
      1   0.732987D-01  0.511822D+01  0.695161D+00 -0.120397D+01  0.140310D+01
      2  -0.131389D+01  0.476725D+01  0.206385D+02 -0.811018D+01  0.847571D+00
      3   0.440362D+00 -0.489998D+01 -0.381653D+01  0.472969D+01 -0.722169D+01
               156           157           158           159           160 
      1   0.193016D+00  0.130044D+01 -0.111456D+01 -0.912431D+00 -0.358430D+00
      2   0.506724D+01  0.134546D+01 -0.110755D+01 -0.410356D+00  0.285029D+01
      3   0.639057D+00 -0.310947D+01  0.376911D+01  0.421452D+00  0.622800D+00
               161           162           163           164           165 
      1   0.463964D+00  0.413743D+00 -0.281328D+01  0.629986D-01 -0.529584D+00
      2   0.230867D+00  0.398133D+00 -0.294174D+00 -0.419325D+00  0.131925D+01
      3   0.129728D+01 -0.476610D-02  0.173392D+01  0.161333D+01  0.320180D+01
               166           167           168           169           170 
      1  -0.168066D+01 -0.585420D+01 -0.768416D+01 -0.263090D+01 -0.950977D+01
      2  -0.354858D+00  0.125795D+01  0.137097D+01 -0.612244D+00  0.240687D+01
      3   0.352952D+01 -0.299549D+01 -0.131026D+01  0.723448D+01 -0.820395D+00
               171           172           173           174           175 
      1  -0.113710D+02  0.199405D+01 -0.292616D+00  0.649183D+00  0.107645D+01
      2   0.192516D+01 -0.126517D+00  0.425980D+00  0.349981D+00  0.715998D+00
      3  -0.215684D+01 -0.520123D+00 -0.862398D+00 -0.256519D+01  0.283839D+01
               176           177           178           179           180 
      1   0.495735D+01 -0.718037D+01 -0.179224D+01 -0.761838D+01  0.994232D+01
      2  -0.238483D+01  0.187928D+01 -0.156444D+01  0.277976D+01 -0.305508D+01
      3  -0.269622D+01  0.240326D+01 -0.480061D+01  0.296110D+01 -0.327260D+01
               181           182           183           184           185 
      1  -0.175977D+01 -0.299567D+00  0.775939D+00 -0.122962D+01 -0.742679D+01
      2  -0.870701D+00 -0.423706D+00 -0.393452D-01  0.256341D+00 -0.243550D+01
      3  -0.152632D+01 -0.247095D+00  0.200565D+01 -0.556914D-01 -0.485928D+01
               186           187           188           189           190 
      1   0.649425D+01  0.208404D+01  0.685863D+01 -0.124285D+02  0.225309D+01
      2   0.563721D+01 -0.176392D+01  0.288673D+01 -0.986825D+01  0.752976D+01
      3   0.386820D+01  0.250737D+01  0.403123D+01 -0.507364D+01 -0.125210D+02
               191           192           193           194           195 
      1  -0.210506D+01  0.358402D+01 -0.209821D+01  0.172466D+01 -0.120186D+01
      2  -0.299173D+01  0.533807D+01 -0.319822D+01  0.106283D+01 -0.167234D+01
      3  -0.104667D+00  0.306271D+00  0.334507D+01  0.178210D+01  0.971926D+00
               196           197           198           199           200 
      1   0.222551D+01  0.294034D+00  0.417435D+00  0.139645D+01  0.674974D+00
      2   0.148672D+01 -0.576713D+00  0.113688D+01 -0.420227D+01 -0.417363D+01
      3  -0.782776D+00  0.604492D+00 -0.184452D+01  0.102482D+02  0.869042D+01
               201           202           203           204           205 
      1  -0.260661D+01  0.744067D+00  0.203231D+01 -0.241789D+01 -0.598861D+00
      2  -0.199321D+01 -0.405998D+01 -0.582336D+01 -0.238121D+01 -0.262605D+01
      3   0.356302D+01  0.100382D+02  0.137623D+02  0.543236D+01  0.205366D+01
               206           207 
      1   0.758683D+00 -0.216838D+01
      2  -0.256421D+01 -0.285583D+01
      3   0.447541D+01  0.360292D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.986188D+00 -0.193421D+02  0.280179D+01  0.290747D+02 -0.561827D+00
      2  -0.303048D+01  0.128148D+02  0.195605D+01 -0.294841D+02 -0.377764D+01
      3   0.401667D+01  0.652728D+01 -0.475785D+01  0.409391D+00  0.433947D+01
      4  -0.191390D+02  0.157075D+02 -0.406605D+01 -0.217106D+01 -0.192369D+02
      5  -0.219427D+01 -0.234453D+01  0.128181D+02  0.669399D+01  0.708819D+01
      6  -0.251086D+01 -0.125749D+01  0.934141D+01  0.724874D+01  0.297052D+01
                 6             7             8             9            10 
      1   0.102609D+01 -0.807661D+01 -0.163242D+01  0.972658D+01 -0.772993D+01
      2  -0.266668D+01  0.971665D+01  0.417234D+01 -0.139369D+02  0.325203D+01
      3   0.164058D+01 -0.164004D+01 -0.253992D+01  0.421033D+01  0.447790D+01
      4   0.101664D+02  0.297968D+01  0.928138D+01  0.135612D+02  0.103404D+02
      5   0.150393D+02  0.290107D+02  0.155654D+02 -0.647619D+01 -0.653721D+01
      6   0.147173D+01  0.849231D+01  0.107827D+02  0.236303D+01 -0.935300D-01
                11            12            13            14            15 
      1   0.740001D+01 -0.651233D+01 -0.204026D+02 -0.197031D+02  0.618409D+01
      2  -0.342564D+01  0.165821D+01  0.197805D+02  0.196000D+02 -0.761034D+01
      3  -0.397436D+01  0.485412D+01  0.622169D+00  0.103120D+00  0.142624D+01
      4   0.235862D+02  0.848448D+00 -0.196736D+02  0.166500D+02 -0.836349D+01
      5   0.190207D+01  0.190467D+02  0.107923D+02 -0.467793D+01 -0.831651D+01
      6  -0.575693D+00 -0.500081D+01 -0.605321D+01 -0.257251D+01 -0.388001D+01
                16            17            18            19            20 
      1  -0.337953D+01  0.736997D+01  0.153084D+02  0.117806D+02  0.122162D+00
      2  -0.213079D+01 -0.491348D+01 -0.191336D+02 -0.826948D+01 -0.276055D+01
      3   0.551033D+01 -0.245650D+01  0.382518D+01 -0.351111D+01  0.263839D+01
      4   0.120974D+02 -0.501924D+01 -0.487040D+01  0.779596D+01 -0.257040D+02
      5   0.359893D+02 -0.811224D+01  0.716162D+01  0.326162D+01  0.202298D+01
      6  -0.368689D+01  0.618573D+01  0.280315D+01  0.247508D+01 -0.139751D+01
                21            22            23            24            25 
      1   0.120313D+01  0.788071D+01  0.107831D+02 -0.477052D+01  0.107688D+01
      2  -0.211068D+01 -0.103284D+01 -0.175962D+02  0.749163D+01 -0.178228D+01
      3   0.907551D+00 -0.684787D+01  0.681314D+01 -0.272111D+01  0.705397D+00
      4   0.364519D+01  0.181455D+02  0.883523D+01  0.925845D+00 -0.176888D+01
      5  -0.590929D+01 -0.153939D+01  0.559039D+00  0.574122D+01  0.311327D+01
      6  -0.549436D+01 -0.171389D+01  0.105438D+02  0.655512D+01  0.912268D+00
                26            27            28            29            30 
      1  -0.400270D+01 -0.130324D+02 -0.332262D+02  0.130639D+02 -0.171350D+01
      2   0.930252D+01 -0.785799D+00  0.196378D+02 -0.641780D+01 -0.543736D+00
      3  -0.529981D+01  0.138182D+02  0.135884D+02 -0.664609D+01  0.225724D+01
      4  -0.251231D+01  0.115873D+02 -0.105309D+02  0.922392D+01 -0.502576D+00
      5   0.106154D+02 -0.797392D+01 -0.288456D+01  0.933616D+00 -0.332742D+01
      6   0.132977D+02 -0.485493D+01  0.199613D+01 -0.369942D-02 -0.213433D+01
                31            32            33            34            35 
      1   0.138169D+02 -0.314088D+01  0.107687D+01 -0.662889D+01  0.258838D+01
      2  -0.527956D+01  0.646063D+01 -0.318854D+01 -0.811603D+00 -0.115019D+01
      3  -0.853735D+01 -0.331976D+01  0.211167D+01  0.744049D+01 -0.143819D+01
      4  -0.430769D+01  0.777237D+01 -0.156073D+01  0.416823D+01 -0.223777D+01
      5   0.229988D+01 -0.950086D+00 -0.533565D+00  0.159906D+01  0.170041D-01
      6  -0.632403D+01 -0.263514D+01  0.214640D+01 -0.863553D+00  0.764437D+01
                36            37            38            39            40 
      1  -0.116634D+02 -0.171007D+02 -0.271940D+02  0.252741D+01 -0.167271D+02
      2   0.117079D+00  0.143814D+02  0.200177D+02  0.498227D+00  0.591400D+01
      3   0.115463D+02  0.271921D+01  0.717626D+01 -0.302564D+01  0.108131D+02
      4  -0.242464D+01 -0.565127D+01  0.166766D+01 -0.129816D+01 -0.747399D-01
      5  -0.935502D+00  0.247968D+01  0.749017D+00 -0.186751D+01  0.460419D+00
      6   0.328722D+00 -0.282319D+01 -0.112288D+00  0.129646D+01  0.789247D+01
                41            42            43            44            45 
      1  -0.102156D+02 -0.340441D+00  0.134768D+01 -0.210386D+01 -0.148500D+02
      2   0.110101D+02 -0.909632D+00  0.236388D+01  0.208183D+01  0.410461D+01
      3  -0.794572D+00  0.125007D+01 -0.371156D+01  0.220300D-01  0.107454D+02
      4  -0.818906D+01  0.287834D+01  0.731238D+00  0.192267D+01 -0.218100D+01
      5   0.313575D+01 -0.346526D+00  0.200859D+01 -0.264903D+01 -0.527289D+00
      6  -0.265390D+00  0.172529D+01 -0.867592D+00  0.111802D+02  0.178605D+01
                46            47            48            49            50 
      1   0.127661D+02  0.176818D+02  0.724400D-01 -0.198690D+02  0.138761D+02
      2  -0.124290D+02 -0.128420D+02  0.927081D+00  0.166053D+02 -0.216102D+02
      3  -0.337110D+00 -0.483988D+01 -0.999521D+00  0.326373D+01  0.773406D+01
      4   0.632132D+01 -0.204440D+02  0.453457D+01  0.123676D+02 -0.199488D+01
      5  -0.276498D+01  0.228704D+01 -0.465423D+01 -0.387528D+00 -0.462757D+01
      6   0.474875D+01 -0.996718D+00  0.231481D+01 -0.258217D+01  0.106608D+02
                51            52            53            54            55 
      1  -0.380101D+01  0.387843D+01 -0.200401D+01 -0.670300D+01  0.212990D+02
      2   0.704482D+01 -0.464038D+01  0.883265D+01 -0.455053D+01 -0.102880D+02
      3  -0.324380D+01  0.761954D+00 -0.682864D+01  0.112535D+02 -0.110109D+02
      4  -0.428467D+01  0.117787D+01 -0.777832D+01 -0.139704D+02 -0.433734D+01
      5  -0.108626D+02  0.797114D+01 -0.146380D+02  0.676288D+01  0.205229D+01
      6   0.683714D+01 -0.434393D+01  0.128180D+02 -0.293365D+01 -0.333294D+01
                56            57            58            59            60 
      1  -0.149851D+02 -0.399764D+01 -0.198404D+02  0.398238D+01 -0.939170D+01
      2   0.115101D+02  0.484356D+01  0.132396D+02  0.130591D+01  0.775887D+01
      3   0.347494D+01 -0.845914D+00  0.660086D+01 -0.528829D+01  0.163283D+01
      4  -0.748722D+01 -0.472354D+01 -0.138594D+02  0.752899D+01 -0.526262D+01
      5  -0.652122D+01 -0.728871D+01 -0.883030D+01 -0.704694D+01  0.139117D+02
      6   0.415947D+01  0.490798D+01  0.553463D+00  0.797004D+01 -0.175589D+02
                61            62            63            64            65 
      1  -0.653890D+00 -0.790604D+01  0.116107D+02 -0.505831D+02  0.145360D+02
      2   0.474905D+01  0.113432D+01 -0.107402D+02  0.259473D+02 -0.102773D+02
      3  -0.409516D+01  0.677173D+01 -0.870456D+00  0.246358D+02 -0.425868D+01
      4  -0.118849D+02  0.249774D+01  0.207672D+02  0.155350D+02  0.384858D+01
      5  -0.155346D+02  0.195619D+02 -0.222289D+01 -0.759321D+01  0.690778D+01
      6   0.161919D+02 -0.232775D+02  0.102064D+02  0.298414D+01  0.149037D+01
                66            67            68            69            70 
      1  -0.523612D+01  0.217013D+02  0.846022D+01  0.871263D+01  0.859574D+00
      2  -0.233034D+01 -0.131745D+02 -0.111666D+02  0.918588D-01  0.144032D+01
      3   0.756647D+01 -0.852673D+01  0.270636D+01 -0.880449D+01 -0.229990D+01
      4   0.467619D+01 -0.867861D+00  0.123481D+01  0.593216D+01  0.481000D+01
      5   0.743447D+01  0.106077D+02  0.772247D+01 -0.429095D+01 -0.173012D+01
      6   0.709478D+00  0.209904D+01 -0.582941D+00 -0.469339D+01 -0.265777D+01
                71            72            73            74            75 
      1   0.314789D+01  0.156286D+02  0.322642D+02  0.873005D+01  0.356252D+00
      2   0.975219D+01  0.149680D+02 -0.185900D+02 -0.643628D+01 -0.143042D+01
      3  -0.129001D+02 -0.305965D+02 -0.136743D+02 -0.229377D+01  0.107417D+01
      4  -0.506284D-01 -0.143201D+02  0.129519D+02  0.108810D+02 -0.514941D+01
      5  -0.139751D+02 -0.270388D+02 -0.530442D+01 -0.332683D+01  0.964503D+01
      6  -0.189776D+01 -0.116767D+02 -0.135110D+01 -0.695400D+01 -0.476694D+01
                76            77            78            79            80 
      1  -0.870249D+01 -0.687277D+01  0.771654D+00 -0.600100D+01 -0.613551D+00
      2   0.945972D+01  0.156490D+02  0.159683D+01  0.438331D+01 -0.405947D+01
      3  -0.757227D+00 -0.877619D+01 -0.236849D+01  0.161770D+01  0.467302D+01
      4   0.124314D+02  0.105512D+02 -0.691273D+01 -0.552223D+01 -0.633895D+01
      5  -0.474038D+01 -0.653250D+01 -0.262799D+01  0.105417D+02  0.796724D+01
      6  -0.360940D+00 -0.229745D+01  0.110238D+02  0.380371D+01  0.107198D+02
                81            82            83            84            85 
      1  -0.759344D+01 -0.127966D+02 -0.444081D+01 -0.450102D+00  0.195103D+02
      2  -0.379689D+01  0.103866D+02  0.716549D+01  0.237964D+01 -0.173577D+02
      3   0.113903D+02  0.241003D+01 -0.272469D+01 -0.192954D+01 -0.215264D+01
      4   0.961191D+01  0.163864D+01 -0.157358D+01  0.189629D+01 -0.825421D+00
      5  -0.280657D+01 -0.167640D+01  0.906353D+00 -0.662251D+01 -0.214249D+01
      6  -0.198917D+01 -0.578098D+00  0.113911D+01  0.942015D+01 -0.349304D+01
                86            87            88            89            90 
      1   0.399419D+02  0.146899D+01  0.580792D+01  0.613456D+01  0.322980D+02
      2  -0.381810D+02 -0.249828D+01 -0.606888D+01 -0.903947D+01 -0.308833D+02
      3  -0.176092D+01  0.102929D+01  0.260966D+00  0.290492D+01 -0.141468D+01
      4  -0.724544D+01 -0.209053D+01 -0.279394D+01 -0.405883D+01 -0.853344D+01
      5  -0.292111D+01 -0.454418D+01 -0.274015D+01 -0.105127D+02 -0.141275D+01
      6  -0.440518D+01 -0.289291D+02 -0.799554D+01 -0.451170D+02 -0.438907D+01
                91            92            93            94            95 
      1   0.482460D+02  0.236280D+02 -0.222782D+01  0.206366D+02  0.146577D+02
      2  -0.188407D+02 -0.615135D+01  0.110407D+01 -0.156013D+01  0.361471D+01
      3  -0.294053D+02 -0.174766D+02  0.112375D+01 -0.190765D+02 -0.182724D+02
      4   0.450833D+02  0.320219D+02 -0.226779D+01  0.387319D+02  0.375513D+02
      5  -0.521006D+01 -0.272487D+01  0.733761D+01 -0.514085D+01 -0.436427D+01
      6  -0.887494D+00 -0.692784D+00  0.310420D+01 -0.217422D+01 -0.194833D+01
                96            97            98            99           100 
      1  -0.178031D+01 -0.942868D+00 -0.735712D+00  0.838770D+00  0.946432D+02
      2   0.851605D+00 -0.585194D+00 -0.822476D+00  0.446749D+00 -0.519696D+02
      3   0.928701D+00  0.152806D+01  0.155819D+01 -0.128552D+01 -0.426735D+02
      4  -0.351483D+01 -0.410505D+01 -0.376693D+01  0.280164D+01 -0.320750D+02
      5   0.513189D+01  0.213189D+01  0.142228D+01 -0.761013D+00  0.119494D+02
      6   0.417486D+01  0.120094D+01  0.170726D+01 -0.948770D+00 -0.466805D+00
               101           102           103           104           105 
      1  -0.213729D+02  0.839016D+01 -0.197961D+02  0.136939D+02 -0.314781D+01
      2   0.105192D+02 -0.553783D+01  0.847926D+01 -0.538523D+01  0.209965D+01
      3   0.108536D+02 -0.285233D+01  0.113169D+02 -0.830864D+01  0.104816D+01
      4   0.159049D+02 -0.299417D+01  0.229015D+02 -0.125739D+02  0.276233D+01
      5  -0.277819D+01  0.103087D+02 -0.536722D+01  0.285454D+01 -0.332281D+01
      6   0.662954D+00 -0.173516D+01  0.152847D+01 -0.777311D+00  0.219325D+01
               106           107           108           109           110 
      1   0.991076D+01 -0.322258D+01  0.325184D+01 -0.394729D+01  0.651096D+01
      2  -0.531315D+01  0.144600D+01 -0.173940D+01  0.548294D+01 -0.581339D+01
      3  -0.459761D+01  0.177658D+01 -0.151245D+01 -0.153565D+01 -0.697572D+00
      4  -0.614917D+01  0.310044D+01 -0.235277D+01  0.973661D+00  0.671103D+01
      5   0.336492D+01 -0.106262D+01  0.227079D+01 -0.399942D+00 -0.546580D+00
      6  -0.748833D+00  0.959815D+00 -0.825728D+00 -0.157391D+01  0.213875D+01
               111           112           113           114           115 
      1  -0.186335D+01  0.377701D+01 -0.374191D+02  0.713732D+01 -0.125177D+01
      2   0.115680D+01 -0.313647D+01  0.520217D+02 -0.727791D+01  0.137040D+01
      3   0.706553D+00 -0.640535D+00 -0.146025D+02  0.140590D+00 -0.118627D+00
      4  -0.700017D+00  0.539807D+01  0.190272D+02 -0.388637D+01 -0.869130D+00
      5   0.111187D+01 -0.820080D+00 -0.466123D+01  0.228265D+01  0.636173D+00
      6  -0.118331D+01  0.271153D+00 -0.135684D+02  0.905288D+01 -0.219989D+00
               116           117           118           119           120 
      1   0.745017D+01 -0.343973D+01  0.154549D+01 -0.309473D+01  0.543270D+00
      2  -0.907056D+01  0.391937D+01  0.337640D+01 -0.266138D+01  0.158729D+00
      3   0.162039D+01 -0.479641D+00 -0.492189D+01  0.575611D+01 -0.701999D+00
      4  -0.306313D+01 -0.199536D+00 -0.108562D+02  0.155344D+02 -0.297599D+01
      5   0.468620D+00 -0.153646D+00  0.195406D+01 -0.270190D+01  0.281715D+01
      6   0.544769D+01 -0.319106D+01 -0.184758D+01  0.206365D+01 -0.176634D+01
               121           122           123           124           125 
      1   0.139070D+01 -0.247573D+02  0.420831D+01  0.215765D+00  0.420329D+01
      2  -0.827343D+01  0.449268D+02 -0.526143D+01  0.802588D+00 -0.707018D+01
      3   0.688272D+01 -0.201694D+02  0.105312D+01 -0.101835D+01  0.286689D+01
      4   0.172587D+02 -0.433687D+02  0.733196D+01 -0.365910D+01  0.867168D+01
      5  -0.279471D+01  0.659597D+01 -0.491963D+01  0.144459D+01 -0.208514D+01
      6   0.281481D+01 -0.110154D+02  0.869604D+01 -0.153350D+01  0.541833D+01
               126           127           128           129           130 
      1  -0.281896D+01  0.309240D+00 -0.113194D+01  0.266542D+01  0.407758D+01
      2   0.370060D+01 -0.394450D+00  0.536561D-01 -0.193258D+01 -0.411721D+01
      3  -0.881640D+00  0.852091D-01  0.107828D+01 -0.732843D+00  0.396366D-01
      4  -0.248046D+01 -0.415329D+01  0.708290D+01 -0.377833D+01  0.100743D+02
      5   0.150943D+01  0.483486D+01 -0.283184D+01  0.740358D+01 -0.317745D+01
      6  -0.308131D+01 -0.582100D+01  0.112517D+01 -0.199748D+01  0.415430D+01
               131           132           133           134           135 
      1  -0.144443D+02  0.966402D+01 -0.737821D+00  0.109169D+02 -0.159095D+02
      2   0.145265D+02 -0.781293D+01 -0.768320D+00 -0.509255D+01  0.623378D+00
      3  -0.821511D-01 -0.185110D+01  0.150614D+01 -0.582438D+01  0.152861D+02
      4  -0.146980D+02  0.754894D+01 -0.529289D+01  0.875834D+01 -0.103053D+02
      5   0.792860D+01 -0.963563D+01  0.992242D+01 -0.106307D+02  0.158337D+02
      6  -0.168393D+02  0.180453D+02 -0.749638D+01  0.186910D+02 -0.236109D+02
               136           137           138           139           140 
      1  -0.217340D+02  0.317394D+02  0.763371D+01  0.298030D+02  0.740824D+01
      2  -0.803981D+01 -0.184803D+02 -0.973492D+01 -0.152862D+02 -0.989700D+01
      3   0.297738D+02 -0.132590D+02  0.210121D+01 -0.145168D+02  0.248876D+01
      4   0.402353D+02 -0.170596D+02  0.575669D+01 -0.960308D+01 -0.220367D+01
      5   0.449253D+01  0.322679D+00  0.525736D+01  0.297144D+01  0.915024D+00
      6  -0.314053D+01 -0.113920D+02 -0.699379D+01 -0.101029D+02 -0.653090D+01
               141           142           143           144           145 
      1   0.328982D+01  0.542014D+01  0.382479D+01 -0.282246D+01  0.324362D+01
      2  -0.186194D+02 -0.933011D+01 -0.129333D+02  0.146411D+02 -0.448091D+01
      3   0.153296D+02  0.390997D+01  0.910847D+01 -0.118186D+02  0.123729D+01
      4  -0.245831D+00  0.177196D+02 -0.794508D+01 -0.192395D+02  0.385234D+00
      5  -0.164699D+02  0.103121D+02 -0.192104D+02  0.151743D+01  0.438774D+01
      6   0.690312D+01 -0.139808D+02  0.114626D+02  0.576482D+01  0.138154D+01
               146           147           148           149           150 
      1   0.102125D+01  0.807054D+01  0.327116D+00 -0.656721D+01 -0.622473D+01
      2   0.352106D+00 -0.827834D-01 -0.111364D+01  0.134681D+01 -0.203317D+01
      3  -0.137336D+01 -0.798775D+01  0.786520D+00  0.522040D+01  0.825790D+01
      4  -0.993423D+00  0.462102D+00  0.340798D+01  0.649423D+01  0.739031D+01
      5   0.245466D-01  0.903965D+00  0.327119D+01  0.647914D+01  0.942942D+01
      6  -0.816963D+00 -0.140672D+01  0.145735D+01  0.698519D+01  0.115572D+02
               151           152           153           154           155 
      1   0.410102D+01 -0.448636D+01 -0.183562D+02  0.798508D+02 -0.887693D+01
      2  -0.703409D+01 -0.322122D+01 -0.226117D+02 -0.447492D+02  0.497643D+01
      3   0.293308D+01  0.770757D+01  0.409679D+02 -0.351016D+02  0.390050D+01
      4   0.295987D+01  0.788594D+01  0.926684D+01 -0.860454D+01  0.103965D+02
      5   0.127073D+02  0.858245D+01  0.364051D+02  0.176630D+02 -0.236179D+01
      6   0.229191D+01  0.777371D+01  0.131771D+02 -0.151519D+01  0.135703D+01
               156           157           158           159           160 
      1   0.590662D+01 -0.147182D+02  0.820907D+01 -0.229474D+01 -0.169358D+01
      2  -0.524232D+01  0.819702D+01 -0.313899D+01  0.893911D+00 -0.887657D+00
      3  -0.664304D+00  0.652122D+01 -0.507009D+01  0.140083D+01  0.258124D+01
      4  -0.758958D+00  0.132267D+02 -0.613873D+01  0.572598D+00 -0.560611D+00
      5   0.106431D+02 -0.475074D+01  0.145417D+01 -0.173664D+01  0.115151D+02
      6  -0.521420D+00  0.232851D+01 -0.134009D+01  0.232220D+01 -0.835215D+00
               161           162           163           164           165 
      1  -0.265743D+00  0.614920D+01 -0.951727D+00  0.287315D+01  0.122380D+01
      2  -0.747287D+00 -0.603546D+01  0.205554D+01 -0.252397D+01 -0.144074D+01
      3   0.101303D+01 -0.113737D+00 -0.110381D+01 -0.349178D+00  0.216944D+00
      4  -0.886331D+00 -0.475685D+00  0.309243D+01  0.796216D+01  0.497725D+01
      5  -0.820611D+00  0.350222D+01  0.204948D+01  0.316062D+01  0.530827D+01
      6   0.131330D+01  0.290620D+00  0.702321D+01  0.618651D+00  0.976259D+00
               166           167           168           169           170 
      1  -0.429859D+01 -0.318693D+02 -0.119958D+02 -0.268819D+01 -0.245915D+02
      2   0.611375D+01  0.405485D+02  0.145545D+02  0.334874D+01  0.262657D+02
      3  -0.181515D+01 -0.867917D+01 -0.255872D+01 -0.660552D+00 -0.167422D+01
      4   0.683491D+01  0.109423D+02  0.421831D+01  0.824894D+01  0.830396D+01
      5   0.256047D+01  0.434211D+01  0.363154D+01  0.535548D+01  0.746404D+01
      6   0.375889D+01  0.224875D+02  0.182648D+02  0.685834D+01  0.323531D+02
               171           172           173           174           175 
      1  -0.221025D+02 -0.135565D+00  0.352495D+01 -0.317097D+01 -0.403322D+01
      2   0.169861D+02  0.490055D+00 -0.362696D+01  0.196186D+01  0.486752D+01
      3   0.511640D+01 -0.354490D+00  0.102012D+00  0.120911D+01 -0.834299D+00
      4   0.628960D+01  0.936709D+00  0.667785D+01 -0.457361D+01  0.547102D+01
      5   0.625465D+01 -0.124729D+01 -0.257368D+01  0.375041D+01 -0.167654D+01
      6   0.263870D+02 -0.572411D+01  0.211270D+01 -0.153694D+01 -0.228705D+01
               176           177           178           179           180 
      1  -0.275147D+02  0.128215D+02  0.951193D+00  0.197230D+02 -0.212753D+02
      2   0.334183D+02 -0.141449D+02 -0.121936D+01 -0.191474D+02  0.145432D+02
      3  -0.590359D+01  0.132346D+01  0.268162D+00 -0.575554D+00  0.673212D+01
      4   0.780632D+01 -0.321841D+01 -0.600108D+01 -0.531427D+01  0.483189D+01
      5  -0.404988D+01  0.377757D+01  0.398667D+01  0.640547D+01 -0.553946D+01
      6  -0.204324D+02  0.185074D+02  0.485568D+01  0.275778D+02 -0.240194D+02
               181           182           183           184           185 
      1   0.382956D+01 -0.173124D+01 -0.445820D+01  0.926114D+00 -0.683230D+00
      2  -0.381462D+01  0.629438D+00  0.410151D+01 -0.225394D+01 -0.587123D+01
      3  -0.149356D-01  0.110181D+01  0.356695D+00  0.132782D+01  0.655446D+01
      4  -0.243447D+01  0.219078D+01  0.424815D+00 -0.538820D-01  0.851411D+01
      5  -0.508565D+01 -0.167350D+01  0.506330D+01 -0.577771D+01 -0.382136D+01
      6   0.849595D+00  0.124070D+01  0.602260D+00  0.158601D+01 -0.272958D+01
               186           187           188           189           190 
      1   0.187612D+01 -0.392918D+01 -0.585135D+00 -0.795229D+01  0.462405D+02
      2   0.121182D+02  0.633466D+01  0.970819D+01 -0.204013D+02 -0.101542D+02
      3  -0.139943D+02 -0.240548D+01 -0.912306D+01  0.283536D+02 -0.360862D+02
      4  -0.383875D+01  0.649819D+00 -0.489070D+01  0.593963D+01 -0.527756D+02
      5   0.121573D+02  0.871542D+01  0.544659D+01 -0.208797D+02 -0.143891D+02
      6  -0.186217D+01 -0.126165D+01  0.250104D+01  0.744121D+01  0.544674D+01
               191           192           193           194           195 
      1  -0.147715D+02 -0.107953D+00 -0.107103D+02  0.337509D+01 -0.944805D+00
      2  -0.347002D+01  0.207936D+01 -0.484812D+01  0.972828D+01  0.137196D+01
      3   0.182415D+02 -0.197140D+01  0.155584D+02 -0.131034D+02 -0.427158D+00
      4   0.320350D+02  0.280534D+01  0.273485D+02 -0.229974D+02 -0.147321D+01
      5   0.654150D+01  0.984917D+01  0.455400D+01 -0.372520D+01 -0.261349D+01
      6  -0.399727D+01 -0.641760D+01 -0.240614D+01  0.408849D+01  0.370519D+01
               196           197           198           199           200 
      1   0.444597D+01 -0.131890D+01  0.420072D+01 -0.745373D+01 -0.171764D+02
      2   0.155273D+01 -0.105841D+01 -0.265771D+01  0.103538D+02  0.184909D+02
      3  -0.599870D+01  0.237732D+01 -0.154301D+01 -0.290005D+01 -0.131449D+01
      4  -0.677052D+01  0.422936D+01 -0.463155D+01  0.280321D+01  0.310800D+01
      5   0.774875D+01 -0.227719D+01 -0.116386D+00  0.288227D+01  0.848174D+00
      6  -0.499794D+01  0.304152D+01 -0.108814D+01  0.476116D+01  0.100878D+02
               201           202           203           204           205 
      1  -0.803009D+01 -0.121810D+02 -0.281573D+02 -0.110265D+02 -0.384521D+01
      2   0.574804D+01  0.109754D+02  0.375049D+02  0.111113D+02  0.269625D+01
      3   0.228205D+01  0.120563D+01 -0.934762D+01 -0.848159D-01  0.114896D+01
      4  -0.168182D-01  0.736858D+01 -0.672593D+01 -0.235519D+01 -0.165169D+00
      5  -0.915091D+00  0.293404D+01 -0.169693D+01 -0.882287D+00  0.146026D+01
      6   0.828220D+01  0.452427D+01  0.184553D+02  0.118559D+02  0.441799D+01
               206           207 
      1  -0.937143D+01 -0.923617D+01
      2   0.814927D+01  0.448005D+01
      3   0.122216D+01  0.475613D+01
      4  -0.789049D+00  0.132767D+01
      5  -0.722731D-02 -0.165381D+01
      6   0.106950D+02  0.828224D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sun Jul 18 15:18:28 2021, MaxMem=  5637144576 cpu:           58228.7 elap:            7314.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.47706 -10.48649 -10.48032 -10.44894 -10.44828
 Alpha  occ. eigenvalues --  -10.44471 -10.44302 -10.44242 -10.44194 -10.44133
 Alpha  occ. eigenvalues --  -10.42457  -1.18221  -1.01090  -0.94787  -0.91095
 Alpha  occ. eigenvalues --   -0.87752  -0.83470  -0.78449  -0.75488  -0.72987
 Alpha  occ. eigenvalues --   -0.67212  -0.64083  -0.61216  -0.60364  -0.58099
 Alpha  occ. eigenvalues --   -0.57135  -0.55032  -0.53602  -0.52676  -0.50990
 Alpha  occ. eigenvalues --   -0.49342  -0.49075  -0.47383  -0.46050  -0.45598
 Alpha  occ. eigenvalues --   -0.42759  -0.41693  -0.36725  -0.34629  -0.33879
 Alpha virt. eigenvalues --   -0.01221  -0.00581  -0.00292   0.00321   0.01013
 Alpha virt. eigenvalues --    0.01307   0.01906   0.02361   0.03232   0.03567
 Alpha virt. eigenvalues --    0.03732   0.04802   0.05556   0.06038   0.06282
 Alpha virt. eigenvalues --    0.06967   0.08041   0.08075   0.09031   0.09093
 Alpha virt. eigenvalues --    0.10258   0.10364   0.10860   0.10998   0.11595
 Alpha virt. eigenvalues --    0.11975   0.12301   0.12585   0.12736   0.12906
 Alpha virt. eigenvalues --    0.13439   0.13652   0.14301   0.14490   0.14538
 Alpha virt. eigenvalues --    0.14847   0.15566   0.16054   0.16500   0.17524
 Alpha virt. eigenvalues --    0.17658   0.18549   0.19375   0.20084   0.21250
 Alpha virt. eigenvalues --    0.21663   0.22489   0.22704   0.24367   0.24768
 Alpha virt. eigenvalues --    0.25317   0.25852   0.26285   0.26545   0.27518
 Alpha virt. eigenvalues --    0.27968   0.28508   0.28766   0.29043   0.29523
 Alpha virt. eigenvalues --    0.30267   0.30886   0.31022   0.32068   0.32267
 Alpha virt. eigenvalues --    0.33180   0.33384   0.34167   0.34449   0.34763
 Alpha virt. eigenvalues --    0.35543   0.36187   0.36326   0.37361   0.37908
 Alpha virt. eigenvalues --    0.38558   0.38631   0.39361   0.40144   0.41174
 Alpha virt. eigenvalues --    0.41497   0.42456   0.42712   0.42846   0.44229
 Alpha virt. eigenvalues --    0.44820   0.45403   0.45812   0.46343   0.47284
 Alpha virt. eigenvalues --    0.47717   0.48961   0.49244   0.49353   0.50521
 Alpha virt. eigenvalues --    0.51107   0.51427   0.52202   0.52768   0.53751
 Alpha virt. eigenvalues --    0.54410   0.54628   0.55235   0.55477   0.55879
 Alpha virt. eigenvalues --    0.56317   0.57216   0.58035   0.58379   0.58861
 Alpha virt. eigenvalues --    0.59157   0.59960   0.60182   0.61118   0.62095
 Alpha virt. eigenvalues --    0.62175   0.62524   0.62935   0.63290   0.63683
 Alpha virt. eigenvalues --    0.64914   0.65184   0.65617   0.66414   0.67254
 Alpha virt. eigenvalues --    0.67692   0.67941   0.68578   0.69863   0.70396
 Alpha virt. eigenvalues --    0.71325   0.71536   0.72008   0.72850   0.73255
 Alpha virt. eigenvalues --    0.73738   0.74837   0.75040   0.76181   0.76524
 Alpha virt. eigenvalues --    0.77272   0.78333   0.78924   0.79287   0.80596
 Alpha virt. eigenvalues --    0.81028   0.82438   0.82606   0.83414   0.84538
 Alpha virt. eigenvalues --    0.85019   0.85774   0.85875   0.86176   0.86977
 Alpha virt. eigenvalues --    0.87307   0.88100   0.89482   0.90389   0.90933
 Alpha virt. eigenvalues --    0.92699   0.93154   0.94482   0.95630   0.96186
 Alpha virt. eigenvalues --    0.97184   0.99185   0.99551   1.01144   1.01496
 Alpha virt. eigenvalues --    1.02333   1.03733   1.04969   1.05608   1.08611
 Alpha virt. eigenvalues --    1.08713   1.09835   1.12762   1.12971   1.15105
 Alpha virt. eigenvalues --    1.16706   1.18738   1.19113   1.21224   1.22774
 Alpha virt. eigenvalues --    1.24846   1.25294   1.28426   1.30739   1.31951
 Alpha virt. eigenvalues --    1.36243   1.37468   1.38264   1.39529   1.41348
 Alpha virt. eigenvalues --    1.41562   1.44066   1.44531   1.45828   1.47017
 Alpha virt. eigenvalues --    1.47482   1.48302   1.48992   1.49499   1.50816
 Alpha virt. eigenvalues --    1.51861   1.53872   1.55387   1.57564   1.58146
 Alpha virt. eigenvalues --    1.59233   1.59748   1.61199   1.62049   1.62808
 Alpha virt. eigenvalues --    1.63616   1.65081   1.66615   1.68425   1.68664
 Alpha virt. eigenvalues --    1.70925   1.71172   1.72869   1.74621   1.75267
 Alpha virt. eigenvalues --    1.77258   1.77505   1.77939   1.78719   1.79263
 Alpha virt. eigenvalues --    1.80582   1.82165   1.82803   1.84384   1.85722
 Alpha virt. eigenvalues --    1.86140   1.87672   1.88596   1.89286   1.90354
 Alpha virt. eigenvalues --    1.91652   1.92302   1.94301   1.95539   1.96299
 Alpha virt. eigenvalues --    1.97800   1.98991   1.99707   2.01151   2.03413
 Alpha virt. eigenvalues --    2.04433   2.05970   2.07301   2.07384   2.08420
 Alpha virt. eigenvalues --    2.09409   2.11277   2.12844   2.13574   2.14280
 Alpha virt. eigenvalues --    2.15616   2.17092   2.17252   2.18293   2.20437
 Alpha virt. eigenvalues --    2.21603   2.21977   2.24305   2.25504   2.26851
 Alpha virt. eigenvalues --    2.28322   2.31210   2.32608   2.33971   2.35549
 Alpha virt. eigenvalues --    2.37655   2.39644   2.40814   2.41273   2.43079
 Alpha virt. eigenvalues --    2.45025   2.46355   2.50104   2.51715   2.54097
 Alpha virt. eigenvalues --    2.56012   2.57776   2.58884   2.60326   2.60740
 Alpha virt. eigenvalues --    2.62979   2.65042   2.66195   2.68895   2.70290
 Alpha virt. eigenvalues --    2.72220   2.74987   2.81826   2.84438   2.87273
 Alpha virt. eigenvalues --    2.89993   2.90815   2.93941   2.95819   3.00630
 Alpha virt. eigenvalues --    3.08454   3.12483   3.14572   3.16038   3.17759
 Alpha virt. eigenvalues --    3.25301   3.54036   3.57044   3.58548   3.61577
 Alpha virt. eigenvalues --    3.70340   3.77902   3.81170   3.88578   3.94989
 Alpha virt. eigenvalues --    4.62069
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   20.816872  -9.445248 -11.219457   5.140857  -7.356294   8.845963
     2  C   -9.445248  18.633295   9.045026  -7.680631   5.121070  -9.581746
     3  C  -11.219457   9.045026  43.842105 -20.802342   4.862099 -13.321656
     4  C    5.140857  -7.680631 -20.802342  41.541705 -17.596106   4.442879
     5  C   -7.356294   5.121070   4.862099 -17.596106  37.454855 -16.237672
     6  C    8.845963  -9.581746 -13.321656   4.442879 -16.237672  36.673071
     7  C   -0.347174   0.147069  -5.132430  -0.728992  -2.616445   0.692638
     8  C   -0.239111   0.083314  -0.296790  -0.087995   0.478367  -0.267532
     9  O    0.016420  -0.028357  -0.053528  -0.196767   0.116232  -0.090049
    10  C    0.118554  -0.052402   0.933549  -1.493143   0.325824  -3.795161
    11  H   -2.010268   0.963368   1.187244  -0.227015   0.050849  -0.287233
    12  H    0.958053  -1.727136  -0.191388  -0.010965  -0.231748   0.936936
    13  H    0.788063  -0.362357  -3.324171   2.251083  -0.596940   0.260515
    14  H   -0.318583   0.622313   0.134034  -0.106688   1.743660  -2.594810
    15  H    0.005881   0.023241   0.309567   0.485534   0.052359  -0.077938
    16  C    0.121742  -0.047463  -0.296288   0.065808   0.006045   0.051792
    17  H   -0.019522   0.002219   0.101374  -0.365146  -0.125173   0.024684
    18  H   -0.007207   0.002885  -0.044160   0.592381  -0.129723  -0.010398
    19  H    0.021822  -0.053032   0.013539   0.142755   0.268968  -0.201715
    20  H   -0.011918   0.066992  -0.034434  -0.043953  -0.036795   0.233193
    21  H   -0.050056   0.030040   0.242712  -0.257022   0.183576  -0.017818
    22  H    0.012469  -0.010478  -0.088342   0.517145  -0.144352   0.008981
    23  H    0.027902   0.018232   0.020268  -0.387291   0.054046  -0.040497
               7          8          9         10         11         12
     1  C   -0.347174  -0.239111   0.016420   0.118554  -2.010268   0.958053
     2  C    0.147069   0.083314  -0.028357  -0.052402   0.963368  -1.727136
     3  C   -5.132430  -0.296790  -0.053528   0.933549   1.187244  -0.191388
     4  C   -0.728992  -0.087995  -0.196767  -1.493143  -0.227015  -0.010965
     5  C   -2.616445   0.478367   0.116232   0.325824   0.050849  -0.231748
     6  C    0.692638  -0.267532  -0.090049  -3.795161  -0.287233   0.936936
     7  C   17.269181  -1.157513   0.098271  -0.907307   0.043918  -0.026936
     8  C   -1.157513   6.550442   0.335884  -0.461011   0.002079   0.006180
     9  O    0.098271   0.335884   8.376945  -0.041073  -0.000004   0.000562
    10  C   -0.907307  -0.461011  -0.041073  10.952555  -0.013857   0.030165
    11  H    0.043918   0.002079  -0.000004  -0.013857   2.045762  -0.074686
    12  H   -0.026936   0.006180   0.000562   0.030165  -0.074686   2.003994
    13  H    0.223714   0.017085  -0.001635  -0.026556  -0.119385  -0.032765
    14  H    0.029168   0.010894   0.004935   0.025547  -0.029994  -0.116195
    15  H   -1.904957   0.186369   0.003695  -0.020158  -0.003015   0.000567
    16  C    0.177018  -0.052388   0.068396  -0.338422  -0.001464  -0.000220
    17  H    0.834108  -0.193421   0.078768  -0.164669  -0.000454   0.000199
    18  H   -0.544959   0.022446  -0.227709   0.180320   0.000686   0.000123
    19  H   -0.057037   0.036026   0.030508   0.065914   0.000309   0.000131
    20  H    0.074671  -0.040843  -0.153180  -0.148041   0.000080  -0.000859
    21  H   -0.262305  -0.086500   0.003568  -0.133444  -0.001572   0.000905
    22  H   -0.270419   0.114787   0.012800   0.073583   0.000591  -0.000295
    23  H    0.449383  -0.096412   0.000160   0.017242  -0.000414   0.000468
              13         14         15         16         17         18
     1  C    0.788063  -0.318583   0.005881   0.121742  -0.019522  -0.007207
     2  C   -0.362357   0.622313   0.023241  -0.047463   0.002219   0.002885
     3  C   -3.324171   0.134034   0.309567  -0.296288   0.101374  -0.044160
     4  C    2.251083  -0.106688   0.485534   0.065808  -0.365146   0.592381
     5  C   -0.596940   1.743660   0.052359   0.006045  -0.125173  -0.129723
     6  C    0.260515  -2.594810  -0.077938   0.051792   0.024684  -0.010398
     7  C    0.223714   0.029168  -1.904957   0.177018   0.834108  -0.544959
     8  C    0.017085   0.010894   0.186369  -0.052388  -0.193421   0.022446
     9  O   -0.001635   0.004935   0.003695   0.068396   0.078768  -0.227709
    10  C   -0.026556   0.025547  -0.020158  -0.338422  -0.164669   0.180320
    11  H   -0.119385  -0.029994  -0.003015  -0.001464  -0.000454   0.000686
    12  H   -0.032765  -0.116195   0.000567  -0.000220   0.000199   0.000123
    13  H    2.771873   0.018133  -0.031778   0.088569   0.006023  -0.001881
    14  H    0.018133   2.337661  -0.003625   0.006910   0.003853  -0.001106
    15  H   -0.031778  -0.003625   2.314136   0.078967  -0.134707   0.034136
    16  C    0.088569   0.006910   0.078967   4.841165   0.037376  -0.118004
    17  H    0.006023   0.003853  -0.134707   0.037376   1.970269  -0.736976
    18  H   -0.001881  -0.001106   0.034136  -0.118004  -0.736976   2.380751
    19  H   -0.003876   0.008935   0.009782  -0.006528  -0.054748   0.019625
    20  H   -0.003982  -0.018535  -0.001978   0.013219   0.010171   0.006003
    21  H    0.010388   0.000692   0.107382   0.394563   0.008459  -0.042714
    22  H    0.010617   0.000505  -0.053587  -0.057128   0.041454  -0.053485
    23  H   -0.053548  -0.001539  -0.007780   0.141609  -0.020076   0.025723
              19         20         21         22         23
     1  C    0.021822  -0.011918  -0.050056   0.012469   0.027902
     2  C   -0.053032   0.066992   0.030040  -0.010478   0.018232
     3  C    0.013539  -0.034434   0.242712  -0.088342   0.020268
     4  C    0.142755  -0.043953  -0.257022   0.517145  -0.387291
     5  C    0.268968  -0.036795   0.183576  -0.144352   0.054046
     6  C   -0.201715   0.233193  -0.017818   0.008981  -0.040497
     7  C   -0.057037   0.074671  -0.262305  -0.270419   0.449383
     8  C    0.036026  -0.040843  -0.086500   0.114787  -0.096412
     9  O    0.030508  -0.153180   0.003568   0.012800   0.000160
    10  C    0.065914  -0.148041  -0.133444   0.073583   0.017242
    11  H    0.000309   0.000080  -0.001572   0.000591  -0.000414
    12  H    0.000131  -0.000859   0.000905  -0.000295   0.000468
    13  H   -0.003876  -0.003982   0.010388   0.010617  -0.053548
    14  H    0.008935  -0.018535   0.000692   0.000505  -0.001539
    15  H    0.009782  -0.001978   0.107382  -0.053587  -0.007780
    16  C   -0.006528   0.013219   0.394563  -0.057128   0.141609
    17  H   -0.054748   0.010171   0.008459   0.041454  -0.020076
    18  H    0.019625   0.006003  -0.042714  -0.053485   0.025723
    19  H    1.176932  -0.416542   0.002063   0.000668   0.000924
    20  H   -0.416542   1.642291  -0.011694   0.003280   0.004235
    21  H    0.002063  -0.011694   1.740483  -0.342153  -0.419184
    22  H    0.000668   0.003280  -0.342153   1.867446  -0.422725
    23  H    0.000924   0.004235  -0.419184  -0.422725   1.912988
 Mulliken charges:
               1
     1  C    0.150241
     2  C    0.229786
     3  C    0.113470
     4  C    0.803907
     5  C    0.353300
     6  C    0.353572
     7  C   -0.082664
     8  C    1.135644
     9  O   -0.354842
    10  C    0.871991
    11  H   -0.525527
    12  H   -0.525091
    13  H   -0.887190
    14  H   -0.756166
    15  H   -0.372090
    16  C    0.824727
    17  H   -0.304065
    18  H   -0.346756
    19  H   -0.005424
    20  H   -0.131379
    21  H   -0.100368
    22  H   -0.221361
    23  H   -0.223715
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.375286
     2  C   -0.295306
     3  C   -0.773720
     4  C    0.803907
     5  C    0.353300
     6  C   -0.402594
     7  C   -0.454754
     8  C    0.484823
     9  O   -0.354842
    10  C    0.735188
    16  C    0.279283
 Electronic spatial extent (au):  <R**2>=           1638.9510
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.6317    Y=              0.5281    Z=             -0.8438  Tot=              1.1790
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -64.6840   YY=            -61.5423   ZZ=            -68.5698
   XY=             -3.3359   XZ=              2.9806   YZ=             -0.9565
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.2481   YY=              3.3897   ZZ=             -3.6377
   XY=             -3.3359   XZ=              2.9806   YZ=             -0.9565
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              8.5115  YYY=             -7.1285  ZZZ=              0.5058  XYY=              5.8288
  XXY=              9.1220  XXZ=             -3.8537  XZZ=            -10.8645  YZZ=             -3.5158
  YYZ=             -0.0463  XYZ=             -3.6443
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1273.6363 YYYY=           -681.7711 ZZZZ=           -184.4155 XXXY=            -16.1341
 XXXZ=             19.8708 YYYX=              7.8315 YYYZ=            -12.8388 ZZZX=              1.1044
 ZZZY=             -2.3363 XXYY=           -343.0869 XXZZ=           -274.4212 YYZZ=           -149.0293
 XXYZ=             -3.1249 YYXZ=              3.0702 ZZXY=              3.5218
 N-N= 6.087582623565D+02 E-N=-2.293937181390D+03  KE= 4.603383219877D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sun Jul 18 15:18:30 2021, MaxMem=  5637144576 cpu:              10.0 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.26347213D-01 1.89666481D-01-3.08094183D-01
 Polarizability= 1.39945018D+02-2.82458637D+00 1.23418169D+02
                 2.87767968D+00-3.88014091D+00 8.04670895D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.3590   -1.3599       -1.2400   -1.2322
 2      1.3590    1.3599        1.8895    1.8893       -9.1240   -9.1258
 3      1.2400    1.2322       30.7148   30.7080       -1.8929   -1.8893
 4     -1.8895   -1.8893        0.0000    0.0000        1.2309    1.2322
 5    -21.5908  -21.5822       -1.2309   -1.2322       -1.3631   -1.3599
 6      1.8929    1.8893        1.3631    1.3599        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        4.0798    4.0798       -3.6967   -3.6967
 2     -5.6678   -5.6678        0.0000    0.0000       -3.6967   -3.6967
 3     -5.6678   -5.6678        4.0798    4.0798       -0.0000    0.0000
 4      4.0798    4.0798        5.6678    5.6678      -27.3773  -27.3773
 5      3.6967    3.6967       92.1240   92.1240       -5.6678   -5.6678
 6    -64.7467  -64.7467       -3.6967   -3.6967       -4.0798   -4.0798
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0254    0.0000        5.3802    5.4397        5.2990    4.9289
 2     -4.9877   -5.4397       -7.6040   -7.5571       37.5253   36.5031
 3     -5.1642   -4.9289     -122.5587 -122.8320        7.8951    7.5571
 4      7.6548    7.5571       -0.0796    0.0000       -4.4134   -4.9289
 5     85.9221   86.3289        4.6833    4.9289        5.1618    5.4397
 6     -7.7726   -7.5571       -5.7425   -5.4397        0.0742    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1684    0.0000       -5.5849   -5.7171       -1.7683   -1.9512
 2      5.6581    5.7171      -52.6480  -53.1153       29.4246   28.7275
 3      1.8984    1.9512       15.3585   14.1665       52.7288   53.1153
 4     53.1850   53.1153        0.0923    0.0000        2.1300    1.9512
 5    -44.2666  -42.8940       -2.1872   -1.9512       -6.3775   -5.7171
 6    -53.6231  -53.1153        6.0949    5.7171        1.4730    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -3.5958   -4.2584      -38.0591  -37.4800       -5.7376   -5.7776
 2     84.1884   83.3464      -36.6988  -36.2324       -6.4043   -5.7776
 3     84.0894   83.3464      -37.9517  -37.4800       -7.3502   -6.5930
 4     -0.7584   -1.2476      -87.5060  -87.6047       27.7418   27.4030
 5     -1.1890   -0.8154       36.1688   34.9166       86.6431   87.6047
 6    -63.4147  -62.3196       -0.3100    0.8154        1.1062    1.2476
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.5276   -2.6609   -0.0007   -0.0004    0.0002    5.4422
 Low frequencies ---   92.0069  119.2389  201.5494
 Diagonal vibrational polarizability:
        4.1634484       3.8790134       8.3476660
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     92.0053               119.2385               201.5491
 Red. masses --      3.0238                 3.0444                 2.8692
 Frc consts  --      0.0151                 0.0255                 0.0687
 IR Inten    --      0.5753                 0.2323                 1.2462
 RamAct Fr= 1--      2.9069                 3.0205                 2.0024
  Dep-P Fr= 1--      0.7500                 0.7431                 0.6561
  Dep-U Fr= 1--      0.8571                 0.8526                 0.7923
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0034
 Beta2  Fr= 1--      0.4153                 0.4292                 0.2644
 AlphaG Fr= 1--     -0.0000                -0.0005                 0.0076
 Gamma2 Fr= 1--      0.3606                 0.9667                 0.5027
 Delta2 Fr= 1--      0.5244                 0.4961                 0.0113
 Raman1 Fr= 1--      11.627                 12.082                  8.010
 ROA1   Fr= 1--      51.401                108.679                 48.626
 CID1   Fr= 1--       4.421                  8.995                  6.071
 Raman2 Fr= 1--       4.983                  5.150                  3.173
 ROA2   Fr= 1--       4.460                 19.233                 11.975
 CID2   Fr= 1--       0.895                  3.734                  3.774
 Raman3 Fr= 1--       9.966                 10.301                  6.346
 ROA3   Fr= 1--      51.401                108.679                 48.626
 CID3   Fr= 1--       5.157                 10.550                  7.662
 RC180  Fr= 1--       0.714                  0.705                  0.585
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02   0.13    -0.02   0.02  -0.02    -0.02   0.04   0.16
     2   6    -0.00   0.01   0.03    -0.03   0.05   0.18    -0.02   0.02   0.03
     3   6    -0.03   0.00   0.10    -0.01  -0.02  -0.17    -0.01   0.02   0.01
     4   6    -0.01  -0.03  -0.02    -0.01  -0.02  -0.13     0.00  -0.01  -0.14
     5   6     0.01  -0.04  -0.10    -0.01   0.00  -0.03    -0.01  -0.01  -0.13
     6   6     0.02  -0.02  -0.09    -0.02   0.04   0.15    -0.01  -0.01  -0.14
     7   6    -0.01  -0.03  -0.04    -0.01  -0.01  -0.01     0.00  -0.02  -0.09
     8   6    -0.08  -0.04   0.14    -0.08   0.03   0.06     0.01  -0.02  -0.05
     9   8     0.06  -0.03   0.12    -0.00  -0.02  -0.01    -0.02   0.09   0.08
    10   6     0.02  -0.05  -0.13    -0.01  -0.01  -0.14    -0.04   0.03   0.14
    11   1    -0.04   0.05   0.24    -0.02   0.02  -0.04    -0.03   0.07   0.35
    12   1     0.00   0.02   0.04    -0.04   0.09   0.35    -0.03   0.03   0.10
    13   1    -0.04   0.01   0.18    -0.01  -0.04  -0.27    -0.01   0.03   0.08
    14   1     0.03  -0.03  -0.15    -0.02   0.07   0.28    -0.01  -0.02  -0.19
    15   1    -0.02  -0.15  -0.14    -0.10   0.03   0.03    -0.06   0.03  -0.05
    16   6     0.05   0.18  -0.14     0.17  -0.06   0.10     0.11  -0.13   0.02
    17   1    -0.24  -0.06   0.11    -0.21   0.06   0.02     0.05  -0.12  -0.00
    18   1    -0.06  -0.02   0.29    -0.06   0.05   0.19     0.01  -0.01  -0.12
    19   1    -0.11   0.10  -0.24    -0.03   0.13  -0.24    -0.11  -0.21   0.31
    20   1     0.11  -0.19  -0.25     0.02  -0.14  -0.24     0.00   0.26   0.31
    21   1     0.04   0.31  -0.04     0.31  -0.10   0.07     0.37  -0.17  -0.01
    22   1     0.06   0.20  -0.18     0.15  -0.06   0.28     0.02  -0.27   0.22
    23   1     0.09   0.19  -0.28     0.21  -0.07   0.03     0.04  -0.04  -0.07
                      4                      5                      6
                      A                      A                      A
 Frequencies --    232.2499               253.9007               322.9162
 Red. masses --      1.1063                 2.8506                 3.1614
 Frc consts  --      0.0352                 0.1083                 0.1942
 IR Inten    --      0.4417                 2.7111                 5.0029
 RamAct Fr= 1--      0.1318                 0.4447                 0.8489
  Dep-P Fr= 1--      0.7352                 0.7276                 0.1434
  Dep-U Fr= 1--      0.8474                 0.8423                 0.2508
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0133
 Beta2  Fr= 1--      0.0186                 0.0624                 0.0355
 AlphaG Fr= 1--     -0.0007                -0.0004                -0.0066
 Gamma2 Fr= 1--     -0.1398                 0.3998                -0.3483
 Delta2 Fr= 1--      0.0409                 0.1433                -0.1287
 Raman1 Fr= 1--       0.527                  1.779                  3.396
 ROA1   Fr= 1--     -12.114                 42.962                -37.555
 CID1   Fr= 1--     -22.974                 24.150                -11.060
 Raman2 Fr= 1--       0.223                  0.749                  0.426
 ROA2   Fr= 1--      -3.683                  8.448                 -7.330
 CID2   Fr= 1--     -16.482                 11.275                -17.217
 Raman3 Fr= 1--       0.447                  1.498                  0.852
 ROA3   Fr= 1--     -12.114                 42.962                -37.555
 CID3   Fr= 1--     -27.110                 28.671                -44.104
 RC180  Fr= 1--       0.695                  0.685                 -0.498
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01  -0.01    -0.06   0.06   0.01    -0.06   0.06  -0.06
     2   6    -0.00  -0.01  -0.02    -0.02   0.06  -0.04    -0.01   0.05  -0.13
     3   6     0.00   0.00   0.02    -0.07   0.00   0.04    -0.09   0.01   0.15
     4   6    -0.00   0.01   0.03    -0.02  -0.05   0.03    -0.01  -0.07   0.07
     5   6    -0.01   0.01   0.03    -0.01  -0.04   0.05    -0.00  -0.06   0.12
     6   6    -0.01   0.00   0.01     0.02   0.01  -0.01     0.03   0.01   0.11
     7   6    -0.01   0.00   0.02     0.01  -0.02   0.03     0.05  -0.05  -0.09
     8   6     0.01  -0.00  -0.01    -0.02   0.01  -0.03     0.03  -0.00  -0.08
     9   8    -0.01  -0.03  -0.04    -0.07  -0.12  -0.17    -0.01   0.14   0.08
    10   6     0.00  -0.01  -0.00    -0.00  -0.06   0.10    -0.08  -0.00  -0.07
    11   1     0.01  -0.02  -0.03    -0.08   0.09   0.01    -0.09   0.08  -0.16
    12   1    -0.00  -0.02  -0.04    -0.00   0.08  -0.10     0.02   0.08  -0.30
    13   1     0.01   0.01   0.02    -0.14  -0.01   0.06    -0.18   0.01   0.22
    14   1    -0.02  -0.00   0.01     0.08   0.02  -0.04     0.11   0.04   0.15
    15   1    -0.02  -0.01   0.01     0.05  -0.05   0.00     0.14  -0.03  -0.07
    16   6     0.02   0.04   0.00     0.21   0.13   0.01     0.13  -0.10  -0.05
    17   1     0.04   0.03  -0.01    -0.03   0.14  -0.08     0.10  -0.15  -0.01
    18   1     0.01  -0.01  -0.03    -0.01   0.01   0.01     0.03   0.03  -0.20
    19   1     0.04  -0.00  -0.01     0.15  -0.25   0.25    -0.19   0.25  -0.25
    20   1    -0.01  -0.01  -0.00    -0.08   0.13   0.26    -0.14  -0.25  -0.25
    21   1     0.55   0.21   0.16     0.05   0.17   0.04     0.23  -0.15  -0.08
    22   1    -0.21  -0.42   0.19     0.32   0.41   0.04     0.11  -0.10   0.08
    23   1    -0.27   0.39  -0.36     0.45  -0.06  -0.04     0.16  -0.12  -0.07
                      7                      8                      9
                      A                      A                      A
 Frequencies --    357.2463               385.6409               440.8882
 Red. masses --      3.5440                 2.3758                 3.3059
 Frc consts  --      0.2665                 0.2082                 0.3786
 IR Inten    --      0.2966                 0.4124                 3.9621
 RamAct Fr= 1--      0.2988                 2.5680                 1.3272
  Dep-P Fr= 1--      0.7337                 0.3375                 0.6440
  Dep-U Fr= 1--      0.8464                 0.5047                 0.7834
 Alpha2 Fr= 1--      0.0001                 0.0235                 0.0025
 Beta2  Fr= 1--      0.0421                 0.2160                 0.1733
 AlphaG Fr= 1--     -0.0001                -0.0074                 0.0054
 Gamma2 Fr= 1--     -0.7269                 0.0410                 0.3939
 Delta2 Fr= 1--     -0.2138                 0.1360                 0.1398
 Raman1 Fr= 1--       1.195                 10.272                  5.309
 ROA1   Fr= 1--     -76.619                  8.290                 42.288
 CID1   Fr= 1--     -64.112                  0.807                  7.966
 Raman2 Fr= 1--       0.506                  2.592                  2.080
 ROA2   Fr= 1--     -15.734                 -0.104                  8.336
 CID2   Fr= 1--     -31.110                 -0.040                  4.008
 Raman3 Fr= 1--       1.012                  5.184                  4.159
 ROA3   Fr= 1--     -76.619                  8.290                 42.288
 CID3   Fr= 1--     -75.747                  1.599                 10.168
 RC180  Fr= 1--       0.693                  0.009                  0.567
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.05   0.02    -0.04  -0.04  -0.02    -0.08  -0.08  -0.09
     2   6     0.00  -0.09  -0.11    -0.10  -0.04   0.01    -0.01  -0.05  -0.02
     3   6     0.10   0.10   0.13    -0.02   0.04  -0.00    -0.09  -0.02   0.15
     4   6     0.03   0.14  -0.06    -0.04   0.07  -0.01    -0.07  -0.04  -0.09
     5   6    -0.03   0.16   0.05    -0.07   0.06  -0.04     0.03  -0.04  -0.17
     6   6    -0.09   0.06   0.09    -0.12   0.00   0.00    -0.01  -0.02   0.15
     7   6    -0.04  -0.03  -0.11    -0.04   0.03   0.03    -0.06   0.07  -0.03
     8   6    -0.11  -0.08   0.05     0.17  -0.12  -0.05    -0.02   0.07  -0.01
     9   8    -0.05  -0.12  -0.02     0.07  -0.03   0.07     0.18   0.08  -0.05
    10   6     0.04   0.09   0.01     0.04  -0.02  -0.04     0.12  -0.03   0.03
    11   1     0.15  -0.12   0.02    -0.00  -0.09  -0.02    -0.09  -0.07  -0.15
    12   1    -0.02  -0.20  -0.26    -0.11  -0.07   0.04     0.00   0.00   0.01
    13   1     0.22   0.15   0.26     0.03   0.06   0.01    -0.08   0.03   0.41
    14   1    -0.21   0.05   0.15    -0.19  -0.00   0.02    -0.06   0.03   0.43
    15   1    -0.18  -0.08  -0.14    -0.11   0.01   0.02    -0.04   0.11   0.00
    16   6     0.07  -0.09  -0.06     0.06   0.07   0.05    -0.03   0.02   0.02
    17   1    -0.33  -0.08   0.01     0.56  -0.18   0.05    -0.16   0.14  -0.06
    18   1    -0.08  -0.01   0.24     0.11  -0.27  -0.43    -0.04  -0.03   0.19
    19   1     0.16   0.11  -0.00     0.00   0.06  -0.09     0.08  -0.32   0.23
    20   1     0.12   0.08  -0.01     0.15  -0.08  -0.10     0.12   0.24   0.23
    21   1     0.06  -0.19  -0.13     0.01   0.09   0.06     0.02  -0.02  -0.01
    22   1     0.09   0.01   0.05     0.12   0.23   0.11    -0.05  -0.00   0.07
    23   1     0.16  -0.19   0.01     0.21  -0.03   0.01    -0.05   0.03   0.04
                     10                     11                     12
                      A                      A                      A
 Frequencies --    471.3334               524.9805               554.0479
 Red. masses --      4.0221                 3.5738                 3.5664
 Frc consts  --      0.5265                 0.5803                 0.6450
 IR Inten    --      3.1414                 0.2801                 3.3016
 RamAct Fr= 1--      2.3098                 8.6423                 0.3397
  Dep-P Fr= 1--      0.3178                 0.2056                 0.3327
  Dep-U Fr= 1--      0.4824                 0.3410                 0.4993
 Alpha2 Fr= 1--      0.0224                 0.1156                 0.0032
 Beta2  Fr= 1--      0.1857                 0.4912                 0.0283
 AlphaG Fr= 1--      0.0140                 0.0295                -0.0072
 Gamma2 Fr= 1--     -0.0402                -0.3110                 0.1943
 Delta2 Fr= 1--      0.0953                -0.0383                -0.0383
 Raman1 Fr= 1--       9.239                 34.569                  1.359
 ROA1   Fr= 1--      -0.811                -31.080                 17.425
 CID1   Fr= 1--      -0.088                 -0.899                 12.824
 Raman2 Fr= 1--       2.228                  5.894                  0.339
 ROA2   Fr= 1--      -1.727                 -7.158                  4.969
 CID2   Fr= 1--      -0.775                 -1.214                 14.650
 Raman3 Fr= 1--       4.457                 11.789                  0.678
 ROA3   Fr= 1--      -0.811                -31.080                 17.425
 CID3   Fr= 1--      -0.182                 -2.636                 25.685
 RC180  Fr= 1--      -0.035                 -0.318                 -0.001
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13  -0.07   0.14    -0.07   0.04  -0.04     0.01  -0.06  -0.19
     2   6    -0.02  -0.08  -0.03    -0.22   0.03   0.02     0.01   0.01   0.23
     3   6    -0.09  -0.06  -0.12    -0.02   0.10  -0.02    -0.01   0.02   0.10
     4   6    -0.09   0.01   0.05     0.07   0.02   0.07    -0.03   0.06   0.24
     5   6     0.03   0.07   0.25    -0.08  -0.01   0.00     0.03   0.04  -0.06
     6   6    -0.00  -0.08  -0.07    -0.14  -0.04  -0.03     0.02  -0.02  -0.14
     7   6    -0.07   0.04  -0.08     0.22   0.02  -0.02    -0.05  -0.06  -0.03
     8   6    -0.05   0.03  -0.03     0.12   0.09   0.12    -0.09  -0.05  -0.05
     9   8     0.19   0.07  -0.05     0.07  -0.05  -0.01     0.00   0.04   0.00
    10   6     0.15   0.07   0.02     0.02  -0.07   0.01     0.02   0.08  -0.01
    11   1    -0.14  -0.04   0.21     0.02  -0.07  -0.09     0.02  -0.12  -0.52
    12   1     0.01  -0.05  -0.20    -0.22   0.02   0.04     0.00   0.05   0.39
    13   1    -0.02  -0.09  -0.37    -0.10   0.07  -0.09     0.04   0.00  -0.07
    14   1    -0.06  -0.14  -0.37    -0.11  -0.04  -0.10    -0.01  -0.06  -0.32
    15   1    -0.00   0.07  -0.06     0.25  -0.03  -0.07     0.07  -0.08  -0.05
    16   6     0.03  -0.02  -0.01     0.03  -0.09  -0.10     0.06  -0.05  -0.05
    17   1    -0.20   0.07  -0.08    -0.18   0.14   0.05    -0.16  -0.09  -0.05
    18   1    -0.07  -0.07   0.17     0.19   0.26   0.40    -0.08  -0.03   0.00
    19   1     0.30   0.21  -0.08     0.07  -0.14   0.06     0.00  -0.03   0.07
    20   1     0.02  -0.07  -0.07     0.05  -0.01   0.06     0.05   0.18   0.06
    21   1     0.12  -0.10  -0.06    -0.01  -0.20  -0.18     0.15  -0.05  -0.04
    22   1     0.02   0.02   0.16    -0.02  -0.28  -0.24     0.07   0.05   0.12
    23   1     0.09  -0.07  -0.01    -0.17   0.00   0.11     0.18  -0.12  -0.14
                     13                     14                     15
                      A                      A                      A
 Frequencies --    621.8870               706.4100               735.3029
 Red. masses --      4.5836                 3.5550                 4.2478
 Frc consts  --      1.0444                 1.0452                 1.3531
 IR Inten    --      4.3133                 9.6296                 2.2974
 RamAct Fr= 1--      2.6524                 0.8779                24.0079
  Dep-P Fr= 1--      0.3044                 0.6288                 0.0417
  Dep-U Fr= 1--      0.4668                 0.7721                 0.0800
 Alpha2 Fr= 1--      0.0268                 0.0019                 0.4837
 Beta2  Fr= 1--      0.2063                 0.1130                 0.3202
 AlphaG Fr= 1--      0.0319                -0.0045                -0.0143
 Gamma2 Fr= 1--      0.1958                -0.3763                -1.7873
 Delta2 Fr= 1--      0.1945                -0.2469                -0.7503
 Raman1 Fr= 1--      10.609                  3.512                 96.032
 ROA1   Fr= 1--      25.023                -44.027               -195.597
 CID1   Fr= 1--       2.359                -12.537                 -2.037
 Raman2 Fr= 1--       2.476                  1.356                  3.842
 ROA2   Fr= 1--       3.144                 -7.057                -36.894
 CID2   Fr= 1--       1.270                 -5.205                 -9.603
 Raman3 Fr= 1--       4.952                  2.712                  7.684
 ROA3   Fr= 1--      25.023                -44.027               -195.597
 CID3   Fr= 1--       5.053                -16.237                -25.455
 RC180  Fr= 1--      -0.066                  0.544                 -0.840
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.18  -0.04   0.00    -0.12  -0.10  -0.08     0.03   0.05  -0.05
     2   6    -0.08  -0.07  -0.03     0.12  -0.02   0.08    -0.10   0.02   0.05
     3   6    -0.08   0.17  -0.05    -0.10  -0.04   0.06     0.07   0.26   0.01
     4   6     0.10   0.00  -0.06    -0.06   0.02  -0.10     0.11   0.05  -0.08
     5   6     0.17   0.04  -0.06     0.05   0.05   0.05     0.07  -0.11   0.11
     6   6     0.08  -0.22   0.06     0.11  -0.03  -0.07     0.08  -0.24   0.01
     7   6     0.06  -0.19   0.14     0.03   0.18  -0.09    -0.09   0.12  -0.11
     8   6    -0.01  -0.03  -0.00     0.10   0.07   0.11    -0.08  -0.03  -0.06
     9   8    -0.08   0.01  -0.02    -0.14  -0.13   0.03     0.02  -0.00   0.01
    10   6     0.05   0.25  -0.01     0.02   0.03   0.03    -0.05  -0.17   0.03
    11   1    -0.10  -0.12   0.15    -0.22   0.02   0.00     0.22  -0.17  -0.09
    12   1    -0.01   0.18   0.04     0.17   0.15   0.19    -0.04   0.14  -0.08
    13   1    -0.08   0.19   0.10    -0.04   0.01   0.26     0.07   0.26   0.03
    14   1     0.02  -0.19   0.22     0.03  -0.04  -0.03     0.25  -0.24  -0.15
    15   1     0.04  -0.15   0.17    -0.04   0.05  -0.20    -0.14   0.12  -0.11
    16   6     0.00  -0.01   0.01     0.01   0.01  -0.04    -0.05   0.08   0.07
    17   1     0.05  -0.02   0.00     0.30   0.05   0.16    -0.10  -0.07  -0.04
    18   1     0.01   0.09  -0.11     0.10   0.07  -0.11    -0.11  -0.16  -0.01
    19   1     0.06   0.28  -0.03     0.05   0.22  -0.09    -0.07  -0.12  -0.01
    20   1     0.10   0.23  -0.05     0.06  -0.12  -0.10    -0.19  -0.23   0.00
    21   1    -0.15   0.25   0.21     0.08  -0.30  -0.29     0.07  -0.09  -0.06
    22   1     0.05  -0.00  -0.27    -0.06  -0.13   0.08    -0.08   0.12   0.32
    23   1    -0.02   0.06  -0.16    -0.12   0.02   0.29    -0.00   0.01   0.16
                     16                     17                     18
                      A                      A                      A
 Frequencies --    744.1165               771.3808               843.9545
 Red. masses --      2.0765                 1.6692                 3.2553
 Frc consts  --      0.6774                 0.5852                 1.3661
 IR Inten    --     26.6792                28.0750                 1.6239
 RamAct Fr= 1--      1.3060                 1.9245                 2.9784
  Dep-P Fr= 1--      0.2922                 0.3698                 0.4282
  Dep-U Fr= 1--      0.4522                 0.5399                 0.5996
 Alpha2 Fr= 1--      0.0137                 0.0158                 0.0199
 Beta2  Fr= 1--      0.0984                 0.1732                 0.2977
 AlphaG Fr= 1--     -0.0210                 0.0090                -0.0359
 Gamma2 Fr= 1--      0.3094                -0.4445                 0.8515
 Delta2 Fr= 1--     -0.0386                 0.1949                 0.3635
 Raman1 Fr= 1--       5.224                  7.698                 11.914
 ROA1   Fr= 1--      28.466                -36.432                 93.374
 CID1   Fr= 1--       5.449                 -4.733                  7.837
 Raman2 Fr= 1--       1.181                  2.078                  3.572
 ROA2   Fr= 1--       7.734                -12.227                 17.527
 CID2   Fr= 1--       6.548                 -5.883                  4.907
 Raman3 Fr= 1--       2.362                  4.156                  7.144
 ROA3   Fr= 1--      28.466                -36.432                 93.374
 CID3   Fr= 1--      12.050                 -8.765                 13.070
 RC180  Fr= 1--      -0.096                  0.080                  0.199
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.01  -0.13    -0.00   0.00  -0.01     0.08   0.11   0.02
     2   6    -0.05   0.03   0.03     0.01  -0.02  -0.11    -0.16   0.06  -0.02
     3   6     0.02  -0.04   0.04     0.01   0.02  -0.09     0.03  -0.15   0.05
     4   6     0.02  -0.06  -0.12    -0.01   0.04   0.17     0.05  -0.13   0.02
     5   6    -0.04   0.01   0.14     0.01  -0.01  -0.04     0.02  -0.05  -0.04
     6   6    -0.04   0.02  -0.12     0.02  -0.03  -0.00    -0.04  -0.06  -0.01
     7   6     0.00  -0.05   0.03    -0.02   0.04  -0.03     0.05   0.09  -0.08
     8   6    -0.01  -0.01  -0.02    -0.02  -0.01  -0.01    -0.08  -0.05  -0.05
     9   8     0.05   0.03  -0.02    -0.01  -0.01   0.01    -0.04  -0.07   0.03
    10   6     0.01   0.02   0.04    -0.01  -0.02  -0.01     0.11   0.19   0.01
    11   1     0.03   0.10   0.39    -0.02   0.08   0.54     0.10   0.06  -0.18
    12   1    -0.11   0.02   0.49    -0.03   0.12   0.54    -0.20  -0.04  -0.04
    13   1    -0.06   0.05   0.56     0.01   0.05   0.10    -0.19  -0.23  -0.12
    14   1    -0.03   0.06   0.09    -0.01   0.06   0.49     0.08  -0.01   0.14
    15   1    -0.04   0.00   0.08     0.09  -0.01  -0.07     0.26   0.03  -0.13
    16   6    -0.01  -0.00   0.02     0.00   0.00  -0.02    -0.02   0.10   0.07
    17   1    -0.06   0.02  -0.04    -0.03  -0.03  -0.00    -0.00  -0.16   0.01
    18   1    -0.01  -0.01   0.05    -0.02  -0.02  -0.00    -0.10  -0.12  -0.12
    19   1     0.12   0.19  -0.08    -0.03  -0.05   0.01     0.15   0.25  -0.03
    20   1    -0.09  -0.15  -0.07     0.01  -0.00   0.01     0.25   0.13  -0.06
    21   1    -0.07   0.12   0.11     0.10  -0.12  -0.11     0.05  -0.17  -0.14
    22   1     0.02   0.02  -0.10    -0.02   0.02   0.15    -0.10  -0.03   0.21
    23   1    -0.01   0.03  -0.07     0.04  -0.05   0.04    -0.13   0.10   0.36
                     19                     20                     21
                      A                      A                      A
 Frequencies --    877.7424               889.5115               935.5473
 Red. masses --      1.3484                 2.7790                 2.7401
 Frc consts  --      0.6121                 1.2955                 1.4130
 IR Inten    --      0.0483                 3.4335                14.7731
 RamAct Fr= 1--      0.7632                 4.0486                 4.2162
  Dep-P Fr= 1--      0.4871                 0.1761                 0.7305
  Dep-U Fr= 1--      0.6551                 0.2995                 0.8443
 Alpha2 Fr= 1--      0.0040                 0.0585                 0.0014
 Beta2  Fr= 1--      0.0833                 0.2021                 0.5933
 AlphaG Fr= 1--     -0.0118                 0.0349                 0.0050
 Gamma2 Fr= 1--      0.4507                 1.6612                -1.4555
 Delta2 Fr= 1--      0.1284                 1.4853                -0.5786
 Raman1 Fr= 1--       3.053                 16.195                 16.865
 ROA1   Fr= 1--      47.379                207.001               -158.241
 CID1   Fr= 1--      15.519                 12.782                 -9.383
 Raman2 Fr= 1--       1.000                  2.425                  7.119
 ROA2   Fr= 1--       9.790                 27.985                -30.303
 CID2   Fr= 1--       9.790                 11.540                 -4.257
 Raman3 Fr= 1--       2.000                  4.850                 14.238
 ROA3   Fr= 1--      47.379                207.001               -158.241
 CID3   Fr= 1--      23.689                 42.681                -11.114
 RC180  Fr= 1--       0.310                 -0.401                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.06     0.10   0.08   0.00     0.02   0.01   0.02
     2   6     0.01  -0.01  -0.04    -0.07   0.03  -0.01    -0.05   0.00   0.02
     3   6    -0.01   0.03   0.09     0.04  -0.04   0.00     0.02   0.01  -0.03
     4   6    -0.00   0.00  -0.05    -0.02  -0.03   0.01    -0.02   0.00   0.01
     5   6    -0.01   0.00   0.03     0.01  -0.05   0.00     0.02   0.00  -0.00
     6   6     0.01  -0.01  -0.10     0.01  -0.09   0.02    -0.01  -0.01  -0.03
     7   6    -0.01  -0.01   0.00    -0.18  -0.00   0.06    -0.04   0.06   0.08
     8   6     0.02   0.01   0.00     0.07   0.08   0.19    -0.13   0.17  -0.11
     9   8     0.01   0.00  -0.01     0.02   0.03  -0.08    -0.06  -0.06   0.11
    10   6    -0.01  -0.01   0.03    -0.01   0.08  -0.01     0.15  -0.10   0.03
    11   1     0.03  -0.08  -0.41     0.15   0.02  -0.04     0.08  -0.06  -0.09
    12   1    -0.01   0.05   0.29    -0.09  -0.02  -0.03    -0.05  -0.06  -0.16
    13   1     0.05  -0.08  -0.53    -0.04  -0.05   0.02     0.01   0.05   0.18
    14   1    -0.05   0.11   0.60     0.12  -0.07   0.04    -0.01   0.03   0.16
    15   1    -0.07   0.03   0.03    -0.38  -0.21  -0.11     0.10   0.32   0.28
    16   6    -0.00  -0.01   0.01    -0.00  -0.08  -0.13     0.05  -0.09  -0.09
    17   1    -0.02   0.02  -0.01     0.47   0.28   0.19     0.19   0.17  -0.03
    18   1     0.02   0.02   0.04    -0.01  -0.13  -0.14    -0.18   0.02  -0.35
    19   1     0.02   0.08  -0.04     0.02   0.04   0.01     0.15   0.00  -0.04
    20   1    -0.06  -0.11  -0.04    -0.09   0.11   0.02     0.28  -0.18  -0.05
    21   1    -0.03   0.05   0.05     0.13  -0.12  -0.16    -0.05   0.09   0.05
    22   1     0.01   0.01  -0.05     0.01   0.04   0.11     0.10  -0.06  -0.30
    23   1     0.01  -0.00  -0.05     0.17  -0.19  -0.21     0.04  -0.03  -0.26
                     22                     23                     24
                      A                      A                      A
 Frequencies --    941.7504               964.2064               977.4966
 Red. masses --      1.3896                 1.2465                 1.6451
 Frc consts  --      0.7261                 0.6828                 0.9261
 IR Inten    --      2.5474                 0.0874                11.6532
 RamAct Fr= 1--      0.5148                 0.0743                 1.6923
  Dep-P Fr= 1--      0.7203                 0.4949                 0.6991
  Dep-U Fr= 1--      0.8374                 0.6621                 0.8229
 Alpha2 Fr= 1--      0.0003                 0.0004                 0.0015
 Beta2  Fr= 1--      0.0718                 0.0082                 0.2321
 AlphaG Fr= 1--     -0.0009                -0.0034                 0.0110
 Gamma2 Fr= 1--      0.8776                -0.2248                 0.7079
 Delta2 Fr= 1--     -0.1186                 0.2202                 0.1715
 Raman1 Fr= 1--       2.059                  0.297                  6.769
 ROA1   Fr= 1--      80.453                -14.537                 73.447
 CID1   Fr= 1--      39.074                -48.934                 10.850
 Raman2 Fr= 1--       0.862                  0.098                  2.785
 ROA2   Fr= 1--      22.010                 -7.157                 15.618
 CID2   Fr= 1--      25.531                -72.779                  5.608
 Raman3 Fr= 1--       1.724                  0.197                  5.570
 ROA3   Fr= 1--      80.453                -14.537                 73.447
 CID3   Fr= 1--      46.662                -73.909                 13.186
 RC180  Fr= 1--       0.675                  0.324                  0.646
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.05     0.01  -0.02  -0.09     0.01   0.01  -0.00
     2   6     0.01   0.01   0.08    -0.01   0.02   0.08    -0.03   0.01  -0.01
     3   6     0.00  -0.01  -0.10    -0.00   0.01   0.06     0.00  -0.03   0.00
     4   6     0.00   0.01   0.04    -0.00   0.00   0.01    -0.01   0.01   0.01
     5   6    -0.00  -0.00  -0.01     0.00  -0.00  -0.01     0.02  -0.01  -0.04
     6   6     0.01  -0.01  -0.09     0.00  -0.01  -0.04     0.00  -0.02   0.03
     7   6     0.00  -0.01  -0.01    -0.00  -0.00  -0.00    -0.03  -0.03  -0.06
     8   6     0.02  -0.03   0.00     0.01   0.01   0.00     0.13   0.07  -0.05
     9   8     0.01   0.01  -0.02    -0.00  -0.00   0.00    -0.05  -0.03   0.04
    10   6    -0.03   0.01   0.02     0.00   0.00  -0.01     0.04   0.00   0.05
    11   1     0.01  -0.05  -0.27    -0.04   0.11   0.61     0.01   0.01  -0.00
    12   1     0.05  -0.09  -0.48     0.04  -0.10  -0.53    -0.03   0.02   0.02
    13   1    -0.03   0.11   0.54     0.03  -0.08  -0.43    -0.01  -0.03   0.02
    14   1    -0.04   0.10   0.53    -0.02   0.05   0.31     0.03  -0.03  -0.10
    15   1     0.04  -0.06  -0.05    -0.00   0.00   0.00    -0.07   0.03  -0.01
    16   6    -0.01   0.01   0.00    -0.01  -0.00   0.00    -0.11  -0.02   0.03
    17   1    -0.07  -0.03  -0.02    -0.00   0.00   0.00    -0.27  -0.02  -0.10
    18   1     0.03   0.00   0.09     0.01   0.02   0.00     0.23   0.39   0.25
    19   1    -0.02   0.07  -0.03    -0.01  -0.01   0.01     0.03   0.16  -0.06
    20   1    -0.07  -0.06  -0.03     0.02   0.01   0.00     0.12  -0.15  -0.08
    21   1     0.04  -0.03  -0.03     0.00   0.01   0.01     0.11   0.14   0.17
    22   1    -0.02   0.03   0.10    -0.00   0.01   0.02    -0.01   0.31   0.33
    23   1     0.02  -0.02   0.03     0.02  -0.01  -0.02     0.25  -0.19  -0.36
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1024.0376              1037.8521              1063.5107
 Red. masses --      2.0015                 1.8237                 2.4345
 Frc consts  --      1.2366                 1.1574                 1.6224
 IR Inten    --     15.0341                 2.5286                 8.1768
 RamAct Fr= 1--      3.2634                 1.3194                40.3731
  Dep-P Fr= 1--      0.4899                 0.2789                 0.0384
  Dep-U Fr= 1--      0.6577                 0.4361                 0.0739
 Alpha2 Fr= 1--      0.0169                 0.0144                 0.8198
 Beta2  Fr= 1--      0.3577                 0.0959                 0.4971
 AlphaG Fr= 1--      0.0432                 0.0023                -0.0652
 Gamma2 Fr= 1--      1.4494                -0.1962                 1.1706
 Delta2 Fr= 1--      0.5846                -0.0398                 0.7325
 Raman1 Fr= 1--      13.054                  5.278                161.492
 ROA1   Fr= 1--     157.852                -20.105                135.822
 CID1   Fr= 1--      12.093                 -3.809                  0.841
 Raman2 Fr= 1--       4.292                  1.151                  5.966
 ROA2   Fr= 1--      30.110                 -4.390                 22.235
 CID2   Fr= 1--       7.015                 -3.814                  3.727
 Raman3 Fr= 1--       8.585                  2.302                 11.931
 ROA3   Fr= 1--     157.852                -20.105                135.822
 CID3   Fr= 1--      18.387                 -8.735                 11.384
 RC180  Fr= 1--       0.315                 -0.128                 -0.852
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.01  -0.04  -0.00     0.11   0.17  -0.02
     2   6     0.00   0.02  -0.00     0.01  -0.02   0.00     0.17  -0.12   0.03
     3   6     0.00  -0.03   0.00    -0.01   0.07   0.00    -0.10   0.09  -0.02
     4   6    -0.03   0.04   0.03     0.02  -0.03   0.00    -0.03  -0.03  -0.00
     5   6    -0.01  -0.03  -0.09     0.02  -0.04  -0.10    -0.05   0.01  -0.00
     6   6     0.01  -0.05   0.04    -0.02   0.09   0.02    -0.06  -0.11   0.02
     7   6    -0.00   0.14   0.02    -0.01  -0.07   0.05     0.00  -0.01   0.00
     8   6     0.02  -0.09  -0.01    -0.04   0.03  -0.01     0.01   0.03  -0.03
     9   8     0.05  -0.04  -0.04     0.02   0.02  -0.04     0.03  -0.03   0.02
    10   6    -0.09   0.07   0.12     0.03  -0.02   0.16    -0.02   0.02   0.00
    11   1    -0.03   0.08   0.04     0.05  -0.10   0.07    -0.03   0.35  -0.07
    12   1     0.04   0.08  -0.05    -0.03  -0.13   0.00     0.10  -0.34   0.07
    13   1     0.03  -0.03  -0.02     0.01   0.05  -0.11    -0.54   0.02  -0.04
    14   1     0.06  -0.07  -0.08    -0.03   0.06  -0.15    -0.50  -0.21  -0.00
    15   1    -0.07   0.42   0.25     0.14  -0.27  -0.13     0.11  -0.01  -0.00
    16   6     0.06  -0.07  -0.03    -0.00   0.05  -0.03     0.00   0.01  -0.00
    17   1    -0.16  -0.07  -0.06     0.09   0.17  -0.04    -0.01   0.03  -0.03
    18   1    -0.01  -0.24   0.26    -0.07  -0.07  -0.07     0.01   0.01   0.02
    19   1    -0.08   0.36  -0.10     0.05   0.44  -0.17     0.02   0.02   0.00
    20   1    -0.15  -0.26  -0.13    -0.12  -0.49  -0.18     0.08   0.02  -0.01
    21   1    -0.11   0.15   0.14     0.10  -0.19  -0.21     0.01  -0.02  -0.02
    22   1     0.11  -0.06  -0.35    -0.08  -0.05   0.19    -0.01  -0.01   0.02
    23   1    -0.03   0.05  -0.17    -0.02  -0.01   0.20    -0.01   0.00   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1088.8058              1131.5103              1144.2251
 Red. masses --      2.1825                 2.1641                 3.4227
 Frc consts  --      1.5244                 1.6325                 2.6402
 IR Inten    --     10.3766                 6.5338                61.9838
 RamAct Fr= 1--      9.0119                 3.1408                 2.0529
  Dep-P Fr= 1--      0.1514                 0.5640                 0.3023
  Dep-U Fr= 1--      0.2630                 0.7212                 0.4643
 Alpha2 Fr= 1--      0.1388                 0.0111                 0.0209
 Beta2  Fr= 1--      0.3950                 0.3775                 0.1589
 AlphaG Fr= 1--      0.0211                 0.0280                -0.0443
 Gamma2 Fr= 1--     -1.2337                 0.8337                -0.2701
 Delta2 Fr= 1--      0.2430                -0.2855                 0.6697
 Raman1 Fr= 1--      36.048                 12.563                  8.211
 ROA1   Fr= 1--    -110.663                 70.900                 -4.495
 CID1   Fr= 1--      -3.070                  5.643                 -0.547
 Raman2 Fr= 1--       4.740                  4.530                  1.906
 ROA2   Fr= 1--     -31.553                 22.293                -11.839
 CID2   Fr= 1--      -6.657                  4.921                 -6.211
 Raman3 Fr= 1--       9.480                  9.061                  3.812
 ROA3   Fr= 1--    -110.663                 70.900                 -4.495
 CID3   Fr= 1--     -11.673                  7.825                 -1.179
 RC180  Fr= 1--      -0.474                  0.442                 -0.071
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.04   0.00    -0.00   0.04  -0.01    -0.01  -0.03   0.00
     2   6     0.03  -0.01   0.00    -0.01   0.05  -0.01     0.01   0.01   0.00
     3   6     0.01   0.04   0.01     0.05  -0.09   0.03     0.02   0.04  -0.02
     4   6     0.10  -0.07  -0.05    -0.05   0.07  -0.05    -0.03  -0.03   0.05
     5   6    -0.04  -0.02   0.03    -0.01   0.08   0.01    -0.07  -0.05   0.00
     6   6    -0.00   0.06  -0.01     0.00  -0.11   0.02     0.04   0.02  -0.00
     7   6     0.04   0.06   0.08    -0.02  -0.04   0.17    -0.07  -0.11  -0.12
     8   6    -0.04   0.03  -0.02     0.02  -0.01  -0.12     0.02   0.20  -0.10
     9   8     0.08  -0.09   0.03     0.02  -0.02   0.05     0.13  -0.16   0.08
    10   6    -0.12   0.08  -0.03    -0.05  -0.02  -0.00    -0.16   0.12   0.01
    11   1    -0.05  -0.06  -0.02    -0.18   0.23  -0.06     0.08  -0.13   0.03
    12   1     0.04   0.04   0.02     0.10   0.37  -0.05     0.03   0.06  -0.01
    13   1     0.01   0.03  -0.04     0.32  -0.05  -0.00     0.17   0.08   0.04
    14   1     0.03   0.07  -0.02    -0.12  -0.14   0.01     0.31   0.07   0.02
    15   1     0.44   0.17   0.16     0.01  -0.18   0.05    -0.29  -0.24  -0.23
    16   6    -0.10  -0.02  -0.08     0.03   0.06  -0.08     0.06   0.02   0.09
    17   1     0.08  -0.00   0.03    -0.19   0.16  -0.22     0.12   0.26  -0.09
    18   1    -0.11  -0.26   0.00     0.07   0.11   0.18    -0.01   0.02  -0.02
    19   1    -0.04  -0.06   0.06    -0.08  -0.04   0.01    -0.06   0.04   0.04
    20   1     0.02   0.19   0.04     0.09  -0.01  -0.00     0.20   0.12  -0.03
    21   1     0.25  -0.04  -0.08     0.12  -0.28  -0.34    -0.23   0.06   0.11
    22   1    -0.05   0.24   0.40    -0.08  -0.13   0.12     0.04  -0.17  -0.28
    23   1     0.25  -0.25  -0.27    -0.02  -0.02   0.25    -0.20   0.20   0.18
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1157.1200              1186.3515              1217.2456
 Red. masses --      1.6455                 1.1203                 1.9545
 Frc consts  --      1.2981                 0.9290                 1.7063
 IR Inten    --      2.5336                 0.3320                 1.2603
 RamAct Fr= 1--      2.3493                 5.2949                10.3344
  Dep-P Fr= 1--      0.7490                 0.6231                 0.1380
  Dep-U Fr= 1--      0.8565                 0.7678                 0.2425
 Alpha2 Fr= 1--      0.0000                 0.0123                 0.1647
 Beta2  Fr= 1--      0.3354                 0.6776                 0.4176
 AlphaG Fr= 1--      0.0000                -0.0190                -0.0596
 Gamma2 Fr= 1--      0.3299                -0.8929                -1.2355
 Delta2 Fr= 1--     -0.0411                 0.0648                -1.0859
 Raman1 Fr= 1--       9.397                 21.180                 41.337
 ROA1   Fr= 1--      30.352                -83.646               -153.358
 CID1   Fr= 1--       3.230                 -3.949                 -3.710
 Raman2 Fr= 1--       4.024                  8.131                  5.012
 ROA2   Fr= 1--       8.246                -21.949                -20.965
 CID2   Fr= 1--       2.049                 -2.699                 -4.183
 Raman3 Fr= 1--       8.049                 16.262                 10.024
 ROA3   Fr= 1--      30.352                -83.646               -153.358
 CID3   Fr= 1--       3.771                 -5.144                -15.300
 RC180  Fr= 1--       0.713                  0.536                 -0.515
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03   0.01     0.04  -0.04   0.01    -0.07  -0.03   0.00
     2   6    -0.02  -0.03   0.00     0.02   0.06  -0.01     0.03   0.00   0.00
     3   6    -0.06   0.06  -0.01    -0.03  -0.01   0.00     0.02  -0.01  -0.00
     4   6    -0.05  -0.03  -0.02     0.01  -0.00   0.00     0.22  -0.03   0.05
     5   6     0.01  -0.03   0.03     0.01   0.01   0.00     0.02  -0.07   0.02
     6   6     0.05   0.06  -0.01    -0.03   0.00  -0.00    -0.07   0.05  -0.02
     7   6    -0.05   0.04   0.09    -0.01   0.00  -0.00    -0.05   0.05   0.02
     8   6     0.07  -0.06  -0.06     0.00   0.00  -0.01     0.01  -0.02  -0.04
     9   8    -0.03   0.00   0.02     0.00  -0.00   0.00    -0.02   0.01   0.01
    10   6     0.01   0.03  -0.03    -0.01  -0.00   0.00     0.03   0.01  -0.00
    11   1     0.31  -0.32   0.08     0.39  -0.45   0.11    -0.31   0.23  -0.06
    12   1    -0.15  -0.37   0.06     0.20   0.55  -0.08     0.02  -0.04   0.01
    13   1    -0.28   0.02  -0.04    -0.37  -0.08  -0.01    -0.20  -0.06  -0.00
    14   1     0.40   0.13   0.01    -0.35  -0.06  -0.01    -0.23   0.02  -0.02
    15   1    -0.09   0.07   0.12    -0.04  -0.01  -0.01    -0.77   0.01   0.01
    16   6     0.04   0.02  -0.06     0.00   0.00  -0.00     0.02   0.00  -0.03
    17   1    -0.23   0.01  -0.14    -0.00   0.01  -0.01    -0.10   0.10  -0.11
    18   1     0.13   0.08   0.25    -0.00  -0.00   0.00     0.02   0.01   0.07
    19   1    -0.11  -0.05   0.03    -0.02  -0.00   0.00    -0.06  -0.00   0.01
    20   1     0.12   0.12   0.01    -0.00   0.00   0.00     0.15   0.03  -0.01
    21   1     0.04  -0.14  -0.18    -0.01   0.00   0.00    -0.02  -0.03  -0.06
    22   1    -0.02  -0.10  -0.02     0.00  -0.00  -0.01     0.00  -0.02  -0.01
    23   1    -0.03   0.02   0.12    -0.01   0.00   0.01    -0.04   0.03   0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1228.9168              1254.4697              1286.4224
 Red. masses --      2.9533                 1.1474                 1.5934
 Frc consts  --      2.6279                 1.0638                 1.5536
 IR Inten    --     10.0118                 8.6617                 4.6922
 RamAct Fr= 1--     18.8226                 4.0781                 5.2305
  Dep-P Fr= 1--      0.0999                 0.4569                 0.2913
  Dep-U Fr= 1--      0.1816                 0.6273                 0.4512
 Alpha2 Fr= 1--      0.3296                 0.0243                 0.0550
 Beta2  Fr= 1--      0.5699                 0.4263                 0.3933
 AlphaG Fr= 1--     -0.0021                 0.0462                 0.0364
 Gamma2 Fr= 1--     -1.1222                -0.4958                 2.5537
 Delta2 Fr= 1--     -0.6725                -2.1373                -1.2181
 Raman1 Fr= 1--      75.290                 16.312                 20.922
 ROA1   Fr= 1--    -129.248               -115.991                206.175
 CID1   Fr= 1--      -1.717                 -7.111                  9.855
 Raman2 Fr= 1--       6.838                  5.116                  4.720
 ROA2   Fr= 1--     -21.552                  5.198                 71.033
 CID2   Fr= 1--      -3.152                  1.016                 15.049
 Raman3 Fr= 1--      13.676                 10.232                  9.440
 ROA3   Fr= 1--    -129.248               -115.991                206.175
 CID3   Fr= 1--      -9.450                -11.336                 21.841
 RC180  Fr= 1--      -0.637                  0.255                 -0.098
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00   0.00     0.01  -0.01   0.00     0.01  -0.02   0.00
     2   6    -0.11  -0.00  -0.01     0.01   0.00   0.00     0.02  -0.02   0.01
     3   6    -0.05  -0.11   0.02    -0.01  -0.00  -0.00    -0.01  -0.04   0.01
     4   6     0.06   0.09  -0.01    -0.01   0.03   0.00     0.02   0.10  -0.01
     5   6     0.26   0.18  -0.01    -0.03  -0.03  -0.03    -0.11   0.05  -0.01
     6   6     0.04   0.03  -0.00    -0.01  -0.01   0.01     0.01  -0.05   0.01
     7   6     0.01  -0.02  -0.01     0.03  -0.00   0.03     0.10  -0.01   0.01
     8   6    -0.03   0.05  -0.03    -0.03   0.01  -0.01    -0.07  -0.01   0.00
     9   8     0.06  -0.06   0.03     0.04  -0.02   0.02     0.02   0.02  -0.03
    10   6    -0.14  -0.06   0.01    -0.01   0.02  -0.01    -0.00  -0.03   0.03
    11   1    -0.02   0.04  -0.01     0.01  -0.01   0.01    -0.04   0.03  -0.01
    12   1    -0.29  -0.46   0.07     0.02   0.01  -0.01     0.06   0.09  -0.01
    13   1    -0.48  -0.20   0.01    -0.07  -0.01  -0.01    -0.49  -0.13  -0.00
    14   1    -0.14   0.01  -0.00     0.13   0.01   0.00     0.61   0.06   0.03
    15   1    -0.04  -0.04  -0.04    -0.27   0.06   0.09    -0.20  -0.15  -0.10
    16   6    -0.01   0.00   0.01    -0.00   0.02  -0.02    -0.03  -0.01  -0.00
    17   1     0.07   0.08  -0.01    -0.03  -0.37   0.14     0.08   0.12  -0.02
    18   1    -0.06  -0.06  -0.04     0.06   0.41  -0.22    -0.07  -0.02  -0.12
    19   1    -0.18  -0.11   0.02     0.54  -0.00  -0.01    -0.11   0.04  -0.02
    20   1    -0.39  -0.09   0.03    -0.45   0.01   0.03     0.37  -0.07  -0.04
    21   1     0.00   0.01   0.02     0.05  -0.05  -0.08     0.07   0.05   0.06
    22   1     0.00   0.02   0.02    -0.02  -0.01   0.04     0.00   0.09   0.07
    23   1     0.00  -0.00  -0.01     0.02  -0.02   0.05     0.04  -0.06  -0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1310.0657              1332.4839              1348.4035
 Red. masses --      1.4228                 2.3005                 1.5786
 Frc consts  --      1.4387                 2.4066                 1.6910
 IR Inten    --      3.2855                 0.5223                 3.7080
 RamAct Fr= 1--      6.5995                10.8843                 9.9496
  Dep-P Fr= 1--      0.2376                 0.3078                 0.4381
  Dep-U Fr= 1--      0.3840                 0.4707                 0.6093
 Alpha2 Fr= 1--      0.0809                 0.1091                 0.0639
 Beta2  Fr= 1--      0.4224                 0.8538                 1.0103
 AlphaG Fr= 1--      0.0860                -0.0870                -0.1026
 Gamma2 Fr= 1--     -1.2283                -1.3669                -0.2513
 Delta2 Fr= 1--      1.8205                 1.6151                -2.2240
 Raman1 Fr= 1--      26.398                 43.537                 39.798
 ROA1   Fr= 1--     -59.657                -79.536                -95.294
 CID1   Fr= 1--      -2.260                 -1.827                 -2.394
 Raman2 Fr= 1--       5.069                 10.246                 12.124
 ROA2   Fr= 1--     -44.043                -45.726                 11.760
 CID2   Fr= 1--      -8.689                 -4.463                  0.970
 Raman3 Fr= 1--      10.138                 20.491                 24.248
 ROA3   Fr= 1--     -59.657                -79.536                -95.294
 CID3   Fr= 1--      -5.885                 -3.881                 -3.930
 RC180  Fr= 1--      -0.232                 -0.059                  0.219
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.01    -0.08   0.07  -0.02     0.04  -0.04   0.01
     2   6    -0.01  -0.05   0.01    -0.05  -0.10   0.02     0.02   0.04  -0.01
     3   6     0.06  -0.00   0.01     0.12   0.00   0.00    -0.05  -0.01  -0.00
     4   6     0.04  -0.04   0.00     0.02  -0.11   0.03     0.00   0.07   0.01
     5   6    -0.05   0.07  -0.04    -0.05   0.14  -0.02     0.01  -0.04  -0.00
     6   6     0.04   0.00   0.01     0.10   0.03   0.00    -0.06  -0.02  -0.00
     7   6    -0.05   0.04   0.00    -0.07  -0.08  -0.04     0.03  -0.13  -0.08
     8   6     0.05  -0.01  -0.02     0.02   0.04   0.04     0.03   0.02   0.02
     9   8    -0.05   0.03   0.05     0.01   0.02  -0.05    -0.04   0.01   0.03
    10   6    -0.01  -0.03  -0.03    -0.05  -0.05   0.03     0.02   0.01  -0.02
    11   1    -0.03   0.00  -0.00     0.02  -0.05   0.01    -0.05   0.06  -0.01
    12   1     0.04   0.10  -0.02     0.04   0.15  -0.02     0.01   0.00   0.00
    13   1    -0.22  -0.06  -0.01    -0.24  -0.07   0.01    -0.01   0.00   0.01
    14   1     0.11   0.02   0.00    -0.05   0.00  -0.01     0.16   0.02   0.01
    15   1     0.17  -0.20  -0.20    -0.07   0.48   0.43    -0.05   0.51   0.45
    16   6     0.01  -0.03   0.02     0.02   0.05  -0.03    -0.01   0.06  -0.02
    17   1    -0.04   0.26  -0.14    -0.03  -0.38   0.19     0.12   0.34  -0.08
    18   1    -0.03  -0.34   0.24     0.03   0.07  -0.06    -0.07  -0.40   0.17
    19   1     0.65  -0.00  -0.04    -0.03   0.04  -0.04     0.18   0.00  -0.01
    20   1    -0.26   0.04   0.04     0.32  -0.06  -0.02    -0.15   0.05   0.03
    21   1    -0.05   0.06   0.08    -0.02  -0.09  -0.14     0.03  -0.07  -0.11
    22   1     0.04   0.01  -0.06    -0.06  -0.09   0.07    -0.09  -0.07   0.12
    23   1    -0.04   0.03  -0.05    -0.03   0.03   0.14     0.04  -0.03   0.14
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1359.6073              1382.8457              1403.0985
 Red. masses --      1.8434                 1.2976                 1.2715
 Frc consts  --      2.0076                 1.4619                 1.4749
 IR Inten    --      2.6903                 3.4691                 7.5370
 RamAct Fr= 1--      3.3636                 0.6482                 1.3936
  Dep-P Fr= 1--      0.0870                 0.4392                 0.3394
  Dep-U Fr= 1--      0.1600                 0.6104                 0.5068
 Alpha2 Fr= 1--      0.0608                 0.0041                 0.0127
 Beta2  Fr= 1--      0.0897                 0.0659                 0.1177
 AlphaG Fr= 1--      0.0648                 0.0058                -0.0180
 Gamma2 Fr= 1--      0.6151                -0.1052                 0.0301
 Delta2 Fr= 1--      1.0872                -0.2019                -0.1738
 Raman1 Fr= 1--      13.455                  2.593                  5.575
 ROA1   Fr= 1--      93.840                -16.555                 -2.677
 CID1   Fr= 1--       6.975                 -6.385                 -0.480
 Raman2 Fr= 1--       1.076                  0.791                  1.413
 ROA2   Fr= 1--       6.066                 -0.908                  2.112
 CID2   Fr= 1--       5.635                 -1.148                  1.495
 Raman3 Fr= 1--       2.153                  1.583                  2.825
 ROA3   Fr= 1--      93.840                -16.555                 -2.677
 CID3   Fr= 1--      43.591                -10.461                 -0.948
 RC180  Fr= 1--      -0.680                  0.221                  0.014
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.08   0.02     0.02  -0.00   0.00     0.01  -0.00   0.00
     2   6     0.02   0.04  -0.01     0.01   0.04  -0.01     0.01   0.03  -0.00
     3   6    -0.02  -0.01   0.00    -0.05  -0.01  -0.00    -0.03  -0.01   0.00
     4   6     0.10   0.08  -0.02    -0.01   0.01   0.00     0.01   0.00  -0.00
     5   6     0.01  -0.03   0.01     0.04  -0.01   0.00     0.02  -0.00   0.00
     6   6    -0.09  -0.02  -0.00    -0.00  -0.01   0.00    -0.00  -0.01   0.00
     7   6    -0.17  -0.02   0.01     0.04  -0.00   0.03    -0.02   0.01  -0.01
     8   6     0.05   0.05   0.02     0.02   0.07  -0.01    -0.02  -0.04   0.01
     9   8    -0.00  -0.00  -0.03    -0.02   0.03  -0.02     0.01   0.02  -0.00
    10   6     0.00  -0.00   0.01    -0.08  -0.04   0.01    -0.07  -0.03   0.01
    11   1    -0.21   0.20  -0.06     0.08  -0.07   0.02     0.04  -0.04   0.01
    12   1     0.04   0.09  -0.01    -0.06  -0.14   0.02    -0.04  -0.10   0.01
    13   1    -0.24  -0.05  -0.01     0.18   0.03   0.01     0.11   0.02  -0.00
    14   1     0.29   0.05   0.01    -0.09  -0.03  -0.00    -0.05  -0.02  -0.00
    15   1     0.62  -0.03  -0.02    -0.19  -0.12  -0.06     0.08   0.06   0.03
    16   6     0.05   0.00   0.01    -0.02   0.02   0.02     0.04  -0.05  -0.09
    17   1    -0.13  -0.42   0.16    -0.14  -0.40   0.13     0.09   0.13  -0.02
    18   1     0.05   0.07  -0.01    -0.11  -0.42   0.07     0.05   0.21  -0.01
    19   1    -0.02   0.00  -0.00     0.40   0.06  -0.06     0.28   0.08  -0.06
    20   1     0.09  -0.00  -0.00     0.48   0.05  -0.00     0.32   0.06   0.02
    21   1    -0.17  -0.04  -0.03     0.07  -0.09  -0.06    -0.16   0.37   0.26
    22   1     0.00  -0.12  -0.07    -0.01  -0.05  -0.11     0.02   0.14   0.43
    23   1    -0.06   0.09  -0.01     0.10  -0.05  -0.08    -0.28   0.08   0.37
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1421.1794              1486.7781              1490.0524
 Red. masses --      1.3198                 1.6298                 1.1659
 Frc consts  --      1.5706                 2.1227                 1.5252
 IR Inten    --      9.9674                 9.4606                 1.4798
 RamAct Fr= 1--      3.6260                 3.7121                14.7751
  Dep-P Fr= 1--      0.5620                 0.5496                 0.6615
  Dep-U Fr= 1--      0.7196                 0.7094                 0.7963
 Alpha2 Fr= 1--      0.0129                 0.0142                 0.0233
 Beta2  Fr= 1--      0.4349                 0.4389                 1.9608
 AlphaG Fr= 1--     -0.0329                -0.0055                 0.0365
 Gamma2 Fr= 1--     -0.4861                -0.8383                -0.0172
 Delta2 Fr= 1--      0.0195                 2.1125                 0.0657
 Raman1 Fr= 1--      14.504                 14.848                 59.100
 ROA1   Fr= 1--     -46.039                -12.875                  0.449
 CID1   Fr= 1--      -3.174                 -0.867                  0.008
 Raman2 Fr= 1--       5.218                  5.266                 23.530
 ROA2   Fr= 1--     -11.822                -37.019                 -0.938
 CID2   Fr= 1--      -2.265                 -7.029                 -0.040
 Raman3 Fr= 1--      10.437                 10.533                 47.060
 ROA3   Fr= 1--     -46.039                -12.875                  0.449
 CID3   Fr= 1--      -4.411                 -1.222                  0.010
 RC180  Fr= 1--       0.439                  0.419                  0.593
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.00     0.10  -0.05   0.02    -0.04   0.03  -0.01
     2   6     0.01   0.02  -0.00    -0.07  -0.08   0.01     0.03   0.03  -0.00
     3   6    -0.01  -0.00   0.00     0.01   0.07  -0.01    -0.01  -0.03   0.00
     4   6     0.03  -0.00   0.00    -0.08  -0.06   0.01     0.03   0.01   0.00
     5   6     0.02  -0.01  -0.00     0.09  -0.01   0.01    -0.04   0.02  -0.01
     6   6    -0.01  -0.00  -0.00    -0.04   0.05  -0.01     0.00  -0.03   0.00
     7   6    -0.03   0.01  -0.03     0.02   0.02   0.00    -0.01   0.01   0.00
     8   6    -0.03  -0.09   0.03     0.00   0.00  -0.01     0.03   0.01   0.02
     9   8     0.02   0.02   0.00     0.00  -0.01   0.00     0.01  -0.01   0.01
    10   6    -0.08  -0.03   0.01    -0.02  -0.05  -0.00     0.02  -0.05   0.00
    11   1     0.01  -0.02   0.00    -0.24   0.34  -0.08     0.11  -0.14   0.03
    12   1    -0.03  -0.07   0.01     0.10   0.40  -0.07    -0.03  -0.15   0.02
    13   1     0.02   0.00   0.00    -0.09   0.06  -0.02     0.07  -0.01   0.01
    14   1    -0.05  -0.01  -0.00     0.11   0.09  -0.01     0.01  -0.03   0.01
    15   1     0.16   0.11   0.05    -0.09  -0.01  -0.02     0.01  -0.02  -0.02
    16   6    -0.02   0.03   0.07    -0.02  -0.01  -0.01     0.01   0.02  -0.01
    17   1     0.14   0.39  -0.11    -0.01  -0.02  -0.00    -0.34   0.07  -0.09
    18   1     0.10   0.44  -0.11     0.00   0.01   0.00    -0.03  -0.08  -0.34
    19   1     0.28   0.11  -0.08    -0.04   0.37  -0.28    -0.14   0.37  -0.27
    20   1     0.31   0.09   0.04     0.02   0.37   0.30    -0.14   0.34   0.30
    21   1     0.08  -0.28  -0.19     0.22   0.07   0.07    -0.20   0.10   0.05
    22   1    -0.01  -0.09  -0.30     0.04   0.07  -0.12    -0.13  -0.28   0.10
    23   1     0.16  -0.02  -0.28    -0.00  -0.06   0.15     0.19  -0.13  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1493.8160              1504.3650              1506.9346
 Red. masses --      1.0923                 1.1050                 1.1550
 Frc consts  --      1.4361                 1.4734                 1.5453
 IR Inten    --      6.0169                 1.5069                 6.3065
 RamAct Fr= 1--      3.7915                 5.9585                 3.8982
  Dep-P Fr= 1--      0.7395                 0.7494                 0.2604
  Dep-U Fr= 1--      0.8502                 0.8567                 0.4132
 Alpha2 Fr= 1--      0.0007                 0.0001                 0.0449
 Beta2  Fr= 1--      0.5373                 0.8508                 0.2685
 AlphaG Fr= 1--      0.0094                -0.0020                -0.0305
 Gamma2 Fr= 1--     -2.3271                 0.5542                -0.4614
 Delta2 Fr= 1--     -1.3438                -0.9444                 0.9580
 Raman1 Fr= 1--      15.166                 23.834                 15.593
 ROA1   Fr= 1--    -266.400                 22.979                -13.638
 CID1   Fr= 1--     -17.566                  0.964                 -0.875
 Raman2 Fr= 1--       6.447                 10.210                  3.222
 ROA2   Fr= 1--     -45.099                 20.855                -18.738
 CID2   Fr= 1--      -6.995                  2.043                 -5.816
 Raman3 Fr= 1--      12.894                 20.420                  6.444
 ROA3   Fr= 1--    -266.400                 22.979                -13.638
 CID3   Fr= 1--     -20.660                  1.125                 -2.116
 RC180  Fr= 1--       0.700                  0.713                 -0.174
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.00    -0.02   0.01  -0.00    -0.04   0.01  -0.00
     2   6     0.02   0.02  -0.00     0.02   0.03  -0.00     0.02   0.03  -0.00
     3   6    -0.01  -0.02   0.00     0.01  -0.01   0.00     0.02  -0.02   0.00
     4   6     0.02   0.01   0.00     0.02   0.01  -0.00     0.02   0.02  -0.00
     5   6    -0.02   0.01  -0.00    -0.02   0.00  -0.00    -0.03  -0.01  -0.00
     6   6    -0.01  -0.02   0.00     0.01  -0.01   0.00     0.01  -0.02   0.00
     7   6     0.00  -0.02   0.01    -0.04  -0.02  -0.01    -0.02  -0.00  -0.00
     8   6    -0.01   0.01  -0.01     0.03   0.01   0.03    -0.04   0.01  -0.05
     9   8     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    10   6     0.02  -0.03   0.00     0.00   0.01   0.00     0.03  -0.03   0.00
    11   1     0.07  -0.09   0.02     0.04  -0.07   0.02     0.05  -0.10   0.02
    12   1    -0.01  -0.08   0.01    -0.03  -0.10   0.02    -0.04  -0.14   0.02
    13   1     0.06  -0.01  -0.00     0.00  -0.02  -0.00    -0.02  -0.03   0.00
    14   1     0.03  -0.01   0.01    -0.03  -0.02   0.00    -0.05  -0.03   0.00
    15   1    -0.03   0.02   0.05     0.08   0.03   0.03     0.05  -0.03  -0.03
    16   6     0.01  -0.04   0.02    -0.04  -0.02  -0.01    -0.02   0.01  -0.00
    17   1     0.09  -0.07   0.04    -0.28   0.06  -0.06     0.50  -0.17   0.14
    18   1    -0.01  -0.02   0.12    -0.01  -0.04  -0.28     0.03   0.12   0.53
    19   1    -0.09   0.22  -0.17    -0.00  -0.02   0.02    -0.08   0.17  -0.13
    20   1    -0.09   0.21   0.19    -0.01  -0.03  -0.02    -0.06   0.16   0.14
    21   1     0.00  -0.29  -0.21     0.61   0.08   0.10     0.21   0.14   0.12
    22   1     0.21   0.48   0.07     0.16   0.27  -0.38    -0.04  -0.14  -0.19
    23   1    -0.39   0.39  -0.22    -0.11  -0.05   0.38     0.15  -0.20   0.22
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1531.2893              1625.7984              1651.6722
 Red. masses --      2.3865                 6.4059                 5.7908
 Frc consts  --      3.2971                 9.9762                 9.3076
 IR Inten    --     15.9820                 2.1688                 1.3194
 RamAct Fr= 1--      0.8906                13.4120                25.8070
  Dep-P Fr= 1--      0.7220                 0.5002                 0.7297
  Dep-U Fr= 1--      0.8386                 0.6668                 0.8437
 Alpha2 Fr= 1--      0.0004                 0.0662                 0.0090
 Beta2  Fr= 1--      0.1245                 1.4906                 3.6291
 AlphaG Fr= 1--     -0.0074                -0.1892                -0.0043
 Gamma2 Fr= 1--     -0.4338                 2.3575                -1.6603
 Delta2 Fr= 1--      0.2139                -1.6617                 3.0567
 Raman1 Fr= 1--       3.562                 53.648                103.228
 ROA1   Fr= 1--     -34.800                173.142                -61.576
 CID1   Fr= 1--      -9.769                  3.227                 -0.597
 Raman2 Fr= 1--       1.494                 17.887                 43.549
 ROA2   Fr= 1--     -12.123                 69.873                -64.301
 CID2   Fr= 1--      -8.116                  3.906                 -1.477
 Raman3 Fr= 1--       2.987                 35.773                 87.098
 ROA3   Fr= 1--     -34.800                173.142                -61.576
 CID3   Fr= 1--     -11.649                  4.840                 -0.707
 RC180  Fr= 1--       0.677                  0.334                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.11   0.02     0.15  -0.29   0.06    -0.21   0.05  -0.02
     2   6    -0.05   0.09  -0.02     0.03   0.33  -0.06     0.18   0.12  -0.01
     3   6     0.16   0.04   0.00    -0.03   0.15  -0.03     0.33   0.04   0.01
     4   6    -0.11   0.11  -0.03    -0.00  -0.32   0.06    -0.21  -0.08   0.00
     5   6    -0.05  -0.14   0.02    -0.11   0.30  -0.06     0.23   0.00   0.02
     6   6     0.16   0.02   0.01     0.02  -0.15   0.03    -0.33  -0.08  -0.01
     7   6     0.02  -0.03   0.01     0.01   0.04  -0.01     0.03   0.01   0.00
     8   6     0.01   0.01   0.01     0.00  -0.01  -0.00     0.01   0.00   0.00
     9   8     0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    10   6     0.00   0.02  -0.00     0.02  -0.03   0.01    -0.03   0.00  -0.00
    11   1    -0.25   0.14  -0.04    -0.33   0.24  -0.07     0.04  -0.27   0.05
    12   1    -0.18  -0.22   0.03    -0.22  -0.35   0.05     0.06  -0.26   0.05
    13   1    -0.54  -0.09  -0.02    -0.05   0.15  -0.03    -0.42  -0.10  -0.00
    14   1    -0.54  -0.12  -0.02     0.02  -0.16   0.03     0.45   0.07   0.02
    15   1     0.10  -0.02   0.01    -0.20   0.03   0.00    -0.07  -0.01  -0.01
    16   6     0.01  -0.00  -0.00    -0.01   0.00   0.00     0.00  -0.00  -0.01
    17   1    -0.08   0.02  -0.02     0.01  -0.01  -0.00    -0.03  -0.00  -0.00
    18   1    -0.02  -0.06  -0.08     0.02   0.05   0.02     0.00  -0.02  -0.02
    19   1     0.07   0.11  -0.07    -0.11  -0.08   0.04     0.04  -0.04   0.03
    20   1     0.09   0.13   0.07    -0.16  -0.12  -0.04     0.07  -0.01  -0.03
    21   1    -0.08  -0.03  -0.03    -0.00  -0.01  -0.01    -0.03   0.01   0.00
    22   1     0.01   0.03   0.08    -0.01  -0.01   0.00    -0.00   0.01   0.05
    23   1    -0.05   0.06  -0.06     0.02  -0.01  -0.03    -0.01   0.01  -0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   2943.9015              2973.9070              3016.6346
 Red. masses --      1.0729                 1.0708                 1.0828
 Frc consts  --      5.4786                 5.5796                 5.8057
 IR Inten    --     53.9367                59.4086                33.5760
 RamAct Fr= 1--    186.9094               116.1866               122.7542
  Dep-P Fr= 1--      0.1921                 0.2021                 0.2177
  Dep-U Fr= 1--      0.3223                 0.3363                 0.3576
 Alpha2 Fr= 1--      2.5918                 1.5689                 1.5898
 Beta2  Fr= 1--     10.0399                 6.5124                 7.3162
 AlphaG Fr= 1--      2.6915                -0.1605                -2.3568
 Gamma2 Fr= 1--     12.9527               -10.2737               -12.1434
 Delta2 Fr= 1--      5.7089                -2.0894                -3.0555
 Raman1 Fr= 1--     747.638                464.746                491.017
 ROA1   Fr= 1--    1426.146              -1053.136              -1263.544
 CID1   Fr= 1--       1.908                 -2.266                 -2.573
 Raman2 Fr= 1--     120.479                 78.149                 87.795
 ROA2   Fr= 1--     265.194               -229.853               -266.999
 CID2   Fr= 1--       2.201                 -2.941                 -3.041
 Raman3 Fr= 1--     240.958                156.298                175.589
 ROA3   Fr= 1--    1426.146              -1053.136              -1263.544
 CID3   Fr= 1--       5.919                 -6.738                 -7.196
 RC180  Fr= 1--      -0.355                 -0.327                 -0.285
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00     0.00  -0.01   0.01    -0.00   0.05  -0.06
     8   6     0.00   0.00   0.00     0.00  -0.03  -0.07     0.00  -0.00  -0.01
     9   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.05  -0.06     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.00
    14   1     0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00   0.00  -0.00    -0.01   0.10  -0.13     0.02  -0.62   0.75
    16   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    17   1     0.01  -0.03  -0.05    -0.19   0.33   0.88    -0.03   0.06   0.15
    18   1    -0.02   0.00   0.00     0.19  -0.06  -0.02     0.02  -0.00  -0.00
    19   1    -0.01   0.56   0.82    -0.01   0.03   0.04    -0.00   0.01   0.01
    20   1    -0.02   0.05  -0.11    -0.00   0.00  -0.00     0.00  -0.00   0.00
    21   1     0.00   0.00  -0.00    -0.00  -0.01   0.01     0.00   0.03  -0.04
    22   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.10   0.04  -0.02
    23   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.05   0.05   0.02
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3033.0658              3075.6648              3085.9820
 Red. masses --      1.0363                 1.0879                 1.0935
 Frc consts  --      5.6171                 6.0636                 6.1354
 IR Inten    --     31.9269                21.3002                27.4126
 RamAct Fr= 1--    217.9142               113.0395               135.0615
  Dep-P Fr= 1--      0.0413                 0.3464                 0.2439
  Dep-U Fr= 1--      0.0793                 0.5145                 0.3921
 Alpha2 Fr= 1--      4.3944                 1.0042                 1.6284
 Beta2  Fr= 1--      2.8806                 9.6932                 8.8264
 AlphaG Fr= 1--      0.4181                -1.7264                -0.2377
 Gamma2 Fr= 1--      1.5403                -5.1150                 3.5681
 Delta2 Fr= 1--      1.4659                -0.7077                 0.5071
 Raman1 Fr= 1--     871.657                452.158                540.246
 ROA1   Fr= 1--     194.782               -513.685                358.766
 CID1   Fr= 1--       0.223                 -1.136                  0.664
 Raman2 Fr= 1--      34.567                116.318                105.917
 ROA2   Fr= 1--      25.241               -117.098                 81.578
 CID2   Fr= 1--       0.730                 -1.007                  0.770
 Raman3 Fr= 1--      69.134                232.636                211.834
 ROA3   Fr= 1--     194.782               -513.685                358.766
 CID3   Fr= 1--       2.817                 -2.208                  1.694
 RC180  Fr= 1--      -0.841                  0.029                 -0.216
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   6     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.08   0.03   0.02
     9   8     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00    -0.01   0.04  -0.07     0.00  -0.01   0.01
    11   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   1    -0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00   0.01  -0.00
    14   1     0.00  -0.00   0.00    -0.00   0.02  -0.01     0.00  -0.01   0.00
    15   1     0.00  -0.05   0.06     0.00   0.00  -0.00    -0.00  -0.01   0.01
    16   6    -0.03   0.03   0.03     0.00   0.00   0.00     0.01   0.00   0.01
    17   1    -0.00   0.01   0.03     0.00  -0.01  -0.02     0.02  -0.06  -0.16
    18   1    -0.03   0.01   0.00     0.09  -0.02  -0.01     0.92  -0.25  -0.06
    19   1    -0.00   0.00   0.00     0.00   0.07   0.07     0.00  -0.00  -0.00
    20   1     0.00  -0.00   0.00     0.10  -0.59   0.79    -0.01   0.06  -0.08
    21   1     0.01   0.32  -0.38     0.00   0.00  -0.00     0.01   0.06  -0.07
    22   1     0.65  -0.27   0.11    -0.01   0.00  -0.00    -0.09   0.04  -0.02
    23   1    -0.32  -0.36  -0.11    -0.01  -0.01  -0.00    -0.08  -0.11  -0.03
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3096.2558              3111.1214              3153.7078
 Red. masses --      1.0997                 1.1022                 1.0870
 Frc consts  --      6.2116                 6.2858                 6.3697
 IR Inten    --     45.6651                16.4119                14.1620
 RamAct Fr= 1--    123.8611                34.5439                37.0406
  Dep-P Fr= 1--      0.6739                 0.7001                 0.4040
  Dep-U Fr= 1--      0.8052                 0.8236                 0.5755
 Alpha2 Fr= 1--      0.1668                 0.0300                 0.2705
 Beta2  Fr= 1--     16.6220                 4.7418                 3.5525
 AlphaG Fr= 1--     -0.0829                 0.0397                -0.1175
 Gamma2 Fr= 1--     -4.4682                 4.9780                -0.0430
 Delta2 Fr= 1--     -3.7302                 4.9146                 1.1787
 Raman1 Fr= 1--     495.445                138.176                148.162
 ROA1   Fr= 1--    -548.313                635.154                 33.594
 CID1   Fr= 1--      -1.107                  4.597                  0.227
 Raman2 Fr= 1--     199.464                 56.901                 42.630
 ROA2   Fr= 1--     -77.396                 80.154                -10.460
 CID2   Fr= 1--      -0.388                  1.409                 -0.245
 Raman3 Fr= 1--     398.927                113.803                 85.261
 ROA3   Fr= 1--    -548.313                635.154                 33.594
 CID3   Fr= 1--      -1.374                  5.581                  0.394
 RC180  Fr= 1--       0.610                  0.647                  0.151
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02   0.01  -0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.03   0.01
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.07   0.01
     7   6    -0.00   0.00  -0.00     0.00   0.01  -0.01    -0.00  -0.00   0.00
     8   6    -0.02   0.01   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    10   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.15  -0.13   0.01
    12   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.30  -0.10   0.04
    13   1     0.00  -0.01   0.00    -0.00   0.02  -0.00    -0.06   0.32  -0.06
    14   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.16   0.83  -0.16
    15   1     0.00  -0.03   0.04     0.00  -0.06   0.07    -0.00   0.00  -0.00
    16   6    -0.08   0.00  -0.04     0.02   0.08  -0.04    -0.00  -0.00   0.00
    17   1     0.01  -0.01  -0.03    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.18  -0.05  -0.01    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    19   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    20   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.02
    21   1    -0.03  -0.23   0.26    -0.02  -0.50   0.61     0.00   0.00  -0.00
    22   1     0.60  -0.26   0.10     0.13  -0.03   0.01     0.00  -0.00   0.00
    23   1     0.38   0.48   0.14    -0.37  -0.43  -0.14     0.00   0.01   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3158.2020              3177.3846              3192.6550
 Red. masses --      1.0880                 1.0905                 1.0966
 Frc consts  --      6.3941                 6.4868                 6.5858
 IR Inten    --      2.6554                17.8085                20.1273
 RamAct Fr= 1--    135.2161                80.7811               277.9480
  Dep-P Fr= 1--      0.4295                 0.7499                 0.1226
  Dep-U Fr= 1--      0.6009                 0.8571                 0.2184
 Alpha2 Fr= 1--      0.8983                 0.0002                 4.6027
 Beta2  Fr= 1--     13.5418                11.5390                10.1181
 AlphaG Fr= 1--      0.2711                -0.0024                 0.3556
 Gamma2 Fr= 1--      1.2830                 0.3793                 1.6676
 Delta2 Fr= 1--     -0.7449                -3.3624                 2.9858
 Raman1 Fr= 1--     540.865                323.124               1111.792
 ROA1   Fr= 1--      99.332                -71.182                255.635
 CID1   Fr= 1--       0.184                 -0.220                  0.230
 Raman2 Fr= 1--     162.502                138.468                121.418
 ROA2   Fr= 1--      36.752                 36.002                 16.136
 CID2   Fr= 1--       0.226                  0.260                  0.133
 Raman3 Fr= 1--     325.003                276.936                242.835
 ROA3   Fr= 1--      99.332                -71.182                255.635
 CID3   Fr= 1--       0.306                 -0.257                  1.053
 RC180  Fr= 1--       0.202                  0.714                 -0.563
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.00     0.04   0.03  -0.00    -0.05  -0.04   0.00
     2   6     0.00  -0.00   0.00    -0.05   0.02  -0.01    -0.06   0.02  -0.01
     3   6     0.01  -0.07   0.01    -0.01   0.03  -0.01     0.01  -0.02   0.00
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.01   0.03  -0.01    -0.00   0.02  -0.00    -0.00   0.02  -0.00
     7   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     9   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    11   1    -0.23  -0.20   0.02    -0.48  -0.41   0.04     0.51   0.44  -0.05
    12   1    -0.03   0.01  -0.00     0.61  -0.21   0.08     0.64  -0.22   0.09
    13   1    -0.15   0.83  -0.16     0.06  -0.30   0.06    -0.04   0.18  -0.04
    14   1     0.07  -0.37   0.07     0.04  -0.25   0.05     0.03  -0.17   0.03
    15   1    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    19   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1     0.00   0.01  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    23   1     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Molecular mass:   148.08882 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   911.056091791.251472470.69734
           X            0.99949  -0.03176   0.00283
           Y            0.03173   0.99945   0.00976
           Z           -0.00314  -0.00967   0.99995
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09507     0.04835     0.03506
 Rotational constants (GHZ):           1.98093     1.00753     0.73046
 Zero-point vibrational energy     518297.9 (Joules/Mol)
                                  123.87617 (Kcal/Mol)
 Warning -- explicit consideration of  12 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    132.38   171.56   289.98   334.16   365.31
          (Kelvin)            464.60   514.00   554.85   634.34   678.14
                              755.33   797.15   894.76  1016.37  1057.94
                             1070.62  1109.84  1214.26  1262.88  1279.81
                             1346.04  1354.97  1387.28  1406.40  1473.36
                             1493.24  1530.15  1566.55  1627.99  1646.28
                             1664.84  1706.90  1751.34  1768.14  1804.90
                             1850.87  1884.89  1917.15  1940.05  1956.17
                             1989.61  2018.75  2044.76  2139.14  2143.85
                             2149.27  2164.45  2168.14  2203.18  2339.16
                             2376.39  4235.62  4278.79  4340.26  4363.91
                             4425.20  4440.04  4454.82  4476.21  4537.48
                             4543.95  4571.55  4593.52
 
 Zero-point correction=                           0.197409 (Hartree/Particle)
 Thermal correction to Energy=                    0.206472
 Thermal correction to Enthalpy=                  0.207416
 Thermal correction to Gibbs Free Energy=         0.163476
 Sum of electronic and zero-point Energies=           -463.529675
 Sum of electronic and thermal Energies=              -463.520613
 Sum of electronic and thermal Enthalpies=            -463.519668
 Sum of electronic and thermal Free Energies=         -463.563609
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  129.563             36.629             92.480
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.888
 Rotational               0.889              2.981             29.779
 Vibrational            127.786             30.667             21.813
 Vibration     1          0.602              1.955              3.617
 Vibration     2          0.609              1.933              3.113
 Vibration     3          0.638              1.838              2.119
 Vibration     4          0.653              1.792              1.861
 Vibration     5          0.665              1.756              1.703
 Vibration     6          0.708              1.630              1.295
 Vibration     7          0.732              1.560              1.134
 Vibration     8          0.754              1.501              1.017
 Vibration     9          0.801              1.381              0.824
 Vibration    10          0.828              1.314              0.734
 Vibration    11          0.880              1.195              0.599
 Vibration    12          0.909              1.131              0.536
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.640235D-75        -75.193660       -173.139801
 Total V=0       0.405704D+16         15.608209         35.939230
 Vib (Bot)       0.125747D-88        -88.900504       -204.700975
 Vib (Bot)    1  0.223392D+01          0.349067          0.803757
 Vib (Bot)    2  0.171415D+01          0.234050          0.538920
 Vib (Bot)    3  0.988725D+00         -0.004924         -0.011339
 Vib (Bot)    4  0.847206D+00         -0.072011         -0.165811
 Vib (Bot)    5  0.767262D+00         -0.115056         -0.264927
 Vib (Bot)    6  0.581121D+00         -0.235733         -0.542796
 Vib (Bot)    7  0.514003D+00         -0.289035         -0.665527
 Vib (Bot)    8  0.466986D+00         -0.330696         -0.761456
 Vib (Bot)    9  0.391819D+00         -0.406914         -0.936954
 Vib (Bot)   10  0.357463D+00         -0.446769         -1.028723
 Vib (Bot)   11  0.306059D+00         -0.514194         -1.183976
 Vib (Bot)   12  0.282145D+00         -0.549528         -1.265334
 Vib (V=0)       0.796830D+02          1.901366          4.378057
 Vib (V=0)    1  0.278919D+01          0.445478          1.025751
 Vib (V=0)    2  0.228559D+01          0.358998          0.826623
 Vib (V=0)    3  0.160796D+01          0.206275          0.474967
 Vib (V=0)    4  0.148375D+01          0.171360          0.394571
 Vib (V=0)    5  0.141580D+01          0.151002          0.347695
 Vib (V=0)    6  0.126662D+01          0.102645          0.236350
 Vib (V=0)    7  0.121708D+01          0.085318          0.196452
 Vib (V=0)    8  0.118416D+01          0.073411          0.169034
 Vib (V=0)    9  0.113523D+01          0.055085          0.126839
 Vib (V=0)   10  0.111464D+01          0.047134          0.108530
 Vib (V=0)   11  0.108624D+01          0.035924          0.082718
 Vib (V=0)   12  0.107411D+01          0.031050          0.071495
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.708333D+08          7.850237         18.075839
 Rotational      0.718797D+06          5.856606         13.485334
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333333 3322                                                 111111111111111111111111111                                         
   11111000 0099                                                 6655544444333332222111100009999 888 7777   6 5 5 44 33 3 222   1    
   97551987 3174                                                 5230099820864318521854386327643 974 7430   2 5 2 74 85 2 530   19   
   37841666 3744                                                 2617440713308206497674294847426 084 1456   2 4 5 11 67 3 422   92   
 
   XXXXXXXX XXXX                                                 XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX X X XXXX   X X X XX XX X XXX   XX   
   XX XXXXX XXXX                                                   XX X XXX     XXX   XXXX XX  X     XX X               X            
   XX XXXXX XXXX                                                   X    XX       XX   X XX XX  X     XX X                            
   XX XXXXX XXXX                                                   X                  X    XX  X     XX                              
   XX XXXXX XXXX                                                   X                  X    X   X     XX                              
   XX   XXX XXXX                                                                      X              XX                              
        XXX XXXX                                                                      X              XX                              
        XX  XXXX                                                                      X              XX                              
        XX  XXXX                                                                      X              XX                              
        X   XXXX                                                                      X                                              
        X    XXX                                                                      X                                              
        X     XX                                                                      X                                              
        X     XX                                                                      X                                              
        X     XX                                                                      X                                              
        X     XX                                                                      X                                              
              XX                                                                      X                                              
              XX                                                                      X                                              
              X                                                                       X                                              
              X                                                                       X                                              
                                                                                      X                                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000027    0.000005340    0.000001084
      2        6          -0.000006133   -0.000001630   -0.000002375
      3        6          -0.000000263    0.000000389   -0.000004202
      4        6           0.000009385   -0.000005473   -0.000005547
      5        6          -0.000005412   -0.000005575    0.000004900
      6        6           0.000002905    0.000002589    0.000003920
      7        6           0.000004272    0.000003956    0.000000704
      8        6          -0.000006133   -0.000005180   -0.000003942
      9        8           0.000003643    0.000016484    0.000017231
     10        6          -0.000005676   -0.000002001   -0.000018918
     11        1          -0.000000008   -0.000000250    0.000000693
     12        1           0.000000245    0.000000232    0.000001076
     13        1          -0.000003571    0.000000692    0.000005274
     14        1          -0.000001332    0.000000365   -0.000000670
     15        1           0.000001386   -0.000000610   -0.000001290
     16        6          -0.000001587   -0.000003767   -0.000001664
     17        1          -0.000001926    0.000000802   -0.000001056
     18        1           0.000000337    0.000000429    0.000002044
     19        1           0.000004594   -0.000002118    0.000004192
     20        1           0.000000562   -0.000004645   -0.000002538
     21        1           0.000002824   -0.000000752    0.000002106
     22        1          -0.000000115    0.000001729    0.000000254
     23        1           0.000002031   -0.000001006   -0.000001277
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000018918 RMS     0.000004846
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.149530D+03 -0.246446D+01  0.271985D+01
      2  -0.246446D+01  0.131278D+03 -0.377854D+01
      3   0.271985D+01 -0.377854D+01  0.881140D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.223227D+01 -0.532220D+01 -0.119389D+02
      2   0.727336D+01 -0.121315D+02 -0.365600D+01
      3   0.622186D+01 -0.494593D+02  0.931553D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.141182D+03  0.146549D+02  0.345254D+01
      2  -0.727199D+02  0.692257D+01  0.100456D+02
      3  -0.684616D+02 -0.215775D+02 -0.134981D+02
      4   0.530261D+02  0.691006D+02 -0.277788D+02
      5   0.172720D+01 -0.290311D+02 -0.142458D+02
      6  -0.128251D+02  0.750482D+01  0.155461D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.221319D+01  0.172316D+01 -0.359950D+00  0.402548D+01 -0.114657D+01
      2   0.172316D+01  0.180340D+01 -0.509139D+00 -0.114657D+01  0.242645D+01
      3  -0.359950D+00 -0.509139D+00  0.247956D+01  0.868961D+00  0.102072D+01
                 6             7             8             9            10 
      1   0.868961D+00 -0.114805D+01  0.833284D+00  0.409926D+01  0.493542D+01
      2   0.102072D+01  0.833284D+00  0.687163D+00  0.280107D+01 -0.986046D+00
      3   0.203059D+01  0.409926D+01  0.280107D+01 -0.757823D+00 -0.452756D+00
                11            12            13            14            15 
      1  -0.986046D+00 -0.452756D+00 -0.187374D+01 -0.129981D+01  0.115496D+01
      2   0.258928D+01  0.144447D-01 -0.129981D+01 -0.256965D+01 -0.828762D+00
      3   0.144447D-01  0.291328D+01  0.115496D+01 -0.828762D+00 -0.934300D+00
                16            17            18            19            20 
      1  -0.120937D+00  0.122733D+01  0.494981D+01  0.387823D-01 -0.470698D+01
      2   0.122733D+01  0.147983D+00 -0.129450D+01 -0.470698D+01  0.175112D+00
      3   0.494981D+01 -0.129450D+01  0.132084D+01  0.282977D+00 -0.226063D+00
                21            22            23            24            25 
      1   0.282977D+00  0.450907D+01 -0.899546D+00 -0.111122D+00 -0.778098D+00
      2  -0.226063D+00 -0.899546D+00  0.181264D+01  0.978306D+00 -0.985133D+00
      3  -0.784507D+00 -0.111122D+00  0.978306D+00  0.199370D+01  0.830400D-01
                26            27            28            29            30 
      1  -0.985133D+00  0.830400D-01 -0.113469D+02  0.547153D+01 -0.322770D+00
      2   0.119411D+01  0.334365D+01  0.547153D+01 -0.556102D+01  0.202561D+00
      3   0.334365D+01 -0.213404D+01 -0.322770D+00  0.202561D+00 -0.187091D+01
                31            32            33            34            35 
      1   0.928294D+01  0.137548D+01 -0.666382D+00 -0.184593D+01 -0.815872D+00
      2   0.137548D+01  0.227996D+01 -0.332319D+00 -0.815872D+00 -0.205678D+00
      3  -0.666382D+00 -0.332319D+00  0.407533D+00 -0.293314D+01  0.175295D+01
                36            37            38            39            40 
      1  -0.293314D+01 -0.128377D+01 -0.415484D+01  0.561696D+00 -0.124666D+02
      2   0.175295D+01 -0.415484D+01 -0.636383D+01  0.266596D+00 -0.239410D+01
      3  -0.912406D+00  0.561696D+00  0.266596D+00 -0.150844D+01 -0.418333D+00
                41            42            43            44            45 
      1  -0.239410D+01 -0.418333D+00  0.274408D+01 -0.119011D+00 -0.189219D+01
      2  -0.528833D+01 -0.164525D+00 -0.119011D+00 -0.523475D+00 -0.280645D+01
      3  -0.164525D+00 -0.911583D+00 -0.189219D+01 -0.280645D+01  0.498291D+00
                46            47            48            49            50 
      1  -0.303908D+01  0.342601D+01 -0.276602D+00 -0.401783D+01  0.448023D+00
      2   0.342601D+01  0.251991D+01  0.380416D+00  0.448023D+00 -0.102902D+01
      3  -0.276602D+00  0.380416D+00 -0.365684D+00  0.403768D-01 -0.905433D+00
                51            52            53            54            55 
      1   0.403768D-01  0.492587D+00  0.531156D+00  0.127939D+01  0.152175D+01
      2  -0.905433D+00  0.531156D+00 -0.136330D+01 -0.325354D+01 -0.613890D+00
      3  -0.221297D+01  0.127939D+01 -0.325354D+01  0.206136D+01 -0.300392D+00
                56            57            58            59            60 
      1  -0.613890D+00 -0.300392D+00 -0.210411D+01  0.455802D+01  0.147357D+01
      2   0.311932D+01  0.175175D+01  0.455802D+01 -0.161717D+01  0.204513D+01
      3   0.175175D+01  0.211149D+01  0.147357D+01  0.204513D+01 -0.407497D+01
                61            62            63            64            65 
      1  -0.220252D+01  0.201588D+01  0.358413D+01  0.726002D+01 -0.268293D+01
      2   0.201588D+01  0.635232D+00 -0.520472D+01 -0.268293D+01 -0.179381D+01
      3   0.358413D+01 -0.520472D+01  0.134522D+01 -0.586861D-01 -0.113545D+01
                66            67            68            69            70 
      1  -0.586861D-01 -0.452111D+01 -0.101242D+01 -0.105682D+01 -0.254265D+00
      2  -0.113545D+01 -0.101242D+01 -0.456440D-01 -0.138678D+01 -0.261372D+00
      3  -0.232585D+01 -0.105682D+01 -0.138678D+01  0.148905D+01 -0.206786D-01
                71            72            73            74            75 
      1  -0.261372D+00 -0.206786D-01 -0.616291D+01 -0.474889D+00  0.105773D+01
      2  -0.922777D+00  0.372732D+01 -0.474889D+00  0.126486D+01  0.912776D+00
      3   0.372732D+01  0.668788D+01  0.105773D+01  0.912776D+00  0.422614D+00
                76            77            78            79            80 
      1   0.858721D+00 -0.168012D+01  0.543050D+00  0.110830D+01 -0.110471D+00
      2  -0.168012D+01 -0.306889D+01  0.136461D+01 -0.110471D+00  0.140020D+01
      3   0.543050D+00  0.136461D+01  0.817542D-01 -0.127446D+01 -0.214474D+01
                81            82            83            84            85 
      1  -0.127446D+01  0.250443D+01 -0.140412D+00  0.404908D-01  0.123718D+01
      2  -0.214474D+01 -0.140412D+00 -0.127448D+01 -0.225341D+00  0.370133D+01
      3   0.129965D+00  0.404908D-01 -0.225341D+00 -0.908596D+00  0.439625D+00
                86            87            88            89            90 
      1   0.370133D+01  0.439625D+00  0.421186D+00  0.106653D+01  0.128817D+01
      2   0.867028D+01  0.638321D+00  0.106653D+01  0.212260D+01  0.682189D+01
      3   0.638321D+00  0.400178D+01  0.128817D+01  0.682189D+01  0.850315D+00
                91            92            93            94            95 
      1   0.782490D+01  0.441940D+01 -0.376908D+00  0.455132D+01  0.424731D+01
      2   0.441940D+01  0.314707D+01 -0.225651D+00  0.424731D+01  0.450071D+01
      3  -0.376908D+00 -0.225651D+00  0.670568D+00 -0.537797D+00 -0.442744D+00
                96            97            98            99           100 
      1  -0.537797D+00 -0.354421D+00 -0.446471D+00  0.513225D-01  0.122936D+02
      2  -0.442744D+00 -0.446471D+00 -0.660839D+00  0.803506D-01 -0.297880D+01
      3   0.604062D+00  0.513225D-01  0.803506D-01 -0.123584D+00  0.124799D+01
               101           102           103           104           105 
      1  -0.297880D+01  0.124799D+01 -0.297900D+01  0.237735D+01 -0.630215D+00
      2   0.141376D+01 -0.317136D+00  0.237735D+01 -0.137394D+01  0.326807D+00
      3  -0.317136D+00  0.904600D+00 -0.630215D+00  0.326807D+00 -0.355114D+00
               106           107           108           109           110 
      1   0.151206D+01 -0.645010D+00  0.149749D+00 -0.448639D+00  0.135370D+01
      2  -0.645010D+00  0.428935D+00 -0.109252D+00  0.135370D+01 -0.980156D+00
      3   0.149749D+00 -0.109252D+00  0.207865D+00 -0.223734D+00  0.305415D+00
               111           112           113           114           115 
      1  -0.223734D+00  0.108242D+01 -0.556305D+00  0.394401D-01 -0.221463D+00
      2   0.305415D+00 -0.556305D+00  0.972379D+01 -0.173659D+01  0.288709D+00
      3  -0.150052D+00  0.394401D-01 -0.173659D+01  0.114389D+01  0.348899D-01
               116           117           118           119           120 
      1   0.288709D+00  0.348899D-01  0.113107D+01 -0.170978D+01  0.372743D+00
      2  -0.192523D+01  0.488790D+00 -0.170978D+01  0.170804D+01 -0.378586D+00
      3   0.488790D+00 -0.280103D+00  0.372743D+00 -0.378586D+00  0.337355D+00
               121           122           123           124           125 
      1  -0.161627D+01  0.247132D+01 -0.461440D+00  0.279528D+00 -0.546238D+00
      2   0.247132D+01 -0.101555D+02  0.171748D+01 -0.546238D+00  0.194404D+01
      3  -0.461440D+00  0.171748D+01 -0.115503D+01  0.234468D+00 -0.535436D+00
               126           127           128           129           130 
      1   0.234468D+00 -0.268551D+00  0.940470D+00 -0.119468D+01  0.214738D+01
      2  -0.535436D+00  0.940470D+00 -0.572887D+00  0.108190D+00 -0.195793D+01
      3   0.275069D+00 -0.119468D+01  0.108190D+00 -0.673733D+00  0.488627D+00
               131           132           133           134           135 
      1  -0.195793D+01  0.488627D+00 -0.167047D+01  0.838899D+00 -0.162194D+01
      2   0.445619D+01 -0.262368D+01  0.838899D+00 -0.280270D+01  0.336197D+01
      3  -0.262368D+01  0.298717D+01 -0.162194D+01  0.336197D+01 -0.525130D+01
               136           137           138           139           140 
      1   0.619945D+01 -0.507638D+01  0.206112D+00 -0.262862D+01 -0.194689D+01
      2  -0.507638D+01 -0.106209D+01 -0.232564D+01 -0.194689D+01 -0.111959D+01
      3   0.206112D+00 -0.232564D+01 -0.144145D+01 -0.236994D+01 -0.131989D+01
               141           142           143           144           145 
      1  -0.236994D+01  0.440640D+01 -0.392874D+01 -0.213331D+01 -0.615949D+00
      2  -0.131989D+01 -0.392874D+01  0.557843D+00  0.388346D+01 -0.109528D+00
      3   0.355071D+01 -0.213331D+01  0.388346D+01 -0.801057D+00 -0.106156D+01
               146           147           148           149           150 
      1  -0.109528D+00 -0.106156D+01 -0.959869D-01 -0.188511D+00 -0.348714D+00
      2   0.563747D+00  0.344371D+00 -0.188511D+00 -0.152352D+01 -0.175505D+01
      3   0.344371D+00  0.119076D+01 -0.348714D+00 -0.175505D+01 -0.231825D+01
               151           152           153           154           155 
      1  -0.143203D+01 -0.344142D+00 -0.158484D+01 -0.122517D+02  0.141691D+01
      2  -0.344142D+00 -0.173068D+01 -0.212783D+01  0.141691D+01 -0.118001D+01
      3  -0.158484D+01 -0.212783D+01 -0.908478D+01 -0.108183D+01  0.139795D+00
               156           157           158           159           160 
      1  -0.108183D+01  0.251518D+01 -0.155365D+01  0.370951D+00  0.285405D+00
      2   0.139795D+00 -0.155365D+01  0.945380D+00 -0.176956D-01  0.641759D-01
      3  -0.104708D+01  0.370951D+00 -0.176956D-01  0.322003D-01 -0.138008D+01
               161           162           163           164           165 
      1   0.641759D-01 -0.138008D+01 -0.566740D+00 -0.107720D+01 -0.104213D+01
      2   0.252923D+00 -0.243587D-01 -0.107720D+01  0.290125D+00 -0.108921D+00
      3  -0.243587D-01 -0.611122D+00 -0.104213D+01 -0.108921D+00 -0.212205D+00
               166           167           168           169           170 
      1  -0.147377D+01 -0.169007D+01 -0.496205D+00 -0.252486D+01 -0.136769D+01
      2  -0.169007D+01 -0.751355D+01 -0.296916D+01 -0.136769D+01 -0.567828D+01
      3  -0.496205D+00 -0.296916D+01 -0.228801D+01 -0.931223D+00 -0.457788D+01
               171           172           173           174           175 
      1  -0.931223D+00 -0.143582D-01 -0.533969D+00  0.918454D+00 -0.117342D+01
      2  -0.457788D+01 -0.533969D+00  0.643912D+00 -0.275129D+00 -0.131297D+01
      3  -0.427974D+01  0.918454D+00 -0.275129D+00  0.214657D+00  0.297924D+00
               176           177           178           179           180 
      1  -0.131297D+01  0.297924D+00  0.164127D+01  0.730597D+00 -0.613890D+00
      2  -0.634595D+01  0.285647D+01  0.730597D+00  0.428409D+01 -0.412975D+01
      3   0.285647D+01 -0.253498D+01 -0.613890D+00 -0.412975D+01  0.408683D+01
               181           182           183           184           185 
      1  -0.905544D+00 -0.393432D-01  0.856790D+00 -0.948723D+00  0.168875D+00
      2  -0.393432D-01  0.976071D-01  0.323458D+00  0.168875D+00 -0.187492D+01
      3   0.856790D+00  0.323458D+00 -0.103896D+00  0.876823D+00  0.109763D+01
               186           187           188           189           190 
      1   0.876823D+00  0.104210D+01  0.427338D+00 -0.971870D+00 -0.105119D+02
      2   0.109763D+01  0.427338D+00  0.136135D+01 -0.136744D+01  0.478846D+01
      3  -0.307166D+01 -0.971870D+00 -0.136744D+01  0.553081D+01  0.711567D+00
               191           192           193           194           195 
      1   0.478846D+01  0.711567D+00  0.374605D+01 -0.284208D+01 -0.478279D-01
      2  -0.310856D+01 -0.374435D+00 -0.284208D+01  0.298434D+01  0.410764D+00
      3  -0.374435D+00 -0.124420D+01 -0.478279D-01  0.410764D+00  0.270894D+00
               196           197           198           199           200 
      1  -0.152459D+01  0.868526D+00 -0.101613D+01  0.149340D+01  0.174535D+01
      2   0.868526D+00 -0.670254D+00  0.261511D+00  0.174535D+01  0.256072D+01
      3  -0.101613D+01  0.261511D+00 -0.145288D+00  0.495444D+00  0.135172D+01
               201           202           203           204           205 
      1   0.495444D+00  0.194347D+01  0.113330D+01  0.550502D+00  0.144713D+00
      2   0.135172D+01  0.113330D+01  0.572592D+01  0.202639D+01  0.677716D+00
      3   0.139171D+01  0.550502D+00  0.202639D+01  0.126353D+01  0.619520D+00
               206           207 
      1   0.677716D+00  0.619520D+00
      2   0.146675D+01  0.105295D+01
      3   0.105295D+01  0.138681D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.628995D+00 -0.102578D+01 -0.427163D+01 -0.158363D+01  0.898509D+00
      2  -0.128392D+01 -0.456639D+00  0.580649D+01  0.233413D+01  0.246700D+01
      3  -0.365310D+01 -0.124962D+02  0.120467D+01  0.752126D+01 -0.864737D+00
                 6             7             8             9            10 
      1  -0.137207D+00 -0.765978D+01  0.588192D+01 -0.189065D+01 -0.591561D+00
      2   0.719109D+01  0.172118D+01  0.104679D+02 -0.279193D+01  0.602944D+00
      3  -0.219809D+01 -0.186517D+01 -0.310513D+01 -0.397648D+01  0.309649D+01
                11            12            13            14            15 
      1  -0.385345D-01  0.238967D+01 -0.218795D+00  0.213553D+01  0.209737D+01
      2   0.240374D+00  0.897583D+01  0.376200D+01 -0.117599D+01 -0.363240D+01
      3  -0.109637D+02  0.330048D+00  0.100717D+02 -0.331759D+00  0.286740D+01
                16            17            18            19            20 
      1   0.491894D+01  0.101952D+02 -0.193579D+01  0.518678D+00  0.122968D+01
      2   0.773416D+01 -0.590434D+01  0.375659D+01  0.280963D+01 -0.344983D+01
      3  -0.253587D+01  0.192526D+01  0.155549D+01  0.522643D+01 -0.598147D+01
                21            22            23            24            25 
      1   0.290158D+01  0.389084D-01 -0.397725D+00 -0.376693D+01  0.222556D+01
      2  -0.219882D+01 -0.151145D+01 -0.167215D+00  0.373594D+01 -0.134257D+02
      3   0.248190D+01  0.488561D+01 -0.771895D+01 -0.560730D+00  0.274930D+01
                26            27            28            29            30 
      1   0.863045D+00  0.127927D+01 -0.799437D+00 -0.219871D+00  0.169458D+01
      2   0.483935D+01 -0.366417D+01 -0.132843D+01  0.218409D+01 -0.254699D+01
      3  -0.197197D+01 -0.696023D+01 -0.130317D+01  0.100641D+02 -0.949451D+00
                31            32            33            34            35 
      1  -0.660000D+00  0.205774D+01 -0.294240D+00  0.205424D+01  0.922050D+01
      2   0.193832D+01 -0.704784D+00 -0.709885D-01 -0.150196D+02  0.138464D+01
      3   0.117908D+02 -0.100589D+02 -0.192258D+01  0.788671D+00  0.270132D+01
                36            37            38            39            40 
      1  -0.777992D+00  0.134335D+01 -0.721827D+00 -0.121924D+01 -0.144200D+01
      2  -0.103191D+01  0.138154D+01  0.748871D+00 -0.184704D+01 -0.294247D+01
      3  -0.193196D+01 -0.549006D+01  0.630288D+01 -0.248816D+01  0.115388D+02
                41            42            43            44            45 
      1   0.431267D+00 -0.874683D+00 -0.293220D+01  0.719644D+01 -0.730357D+00
      2   0.288443D+01 -0.649012D+00 -0.139271D+02 -0.855010D+00 -0.776926D+00
      3   0.154501D+02  0.961861D+00  0.219012D+00 -0.241652D+01  0.346109D+01
                46            47            48            49            50 
      1   0.138221D+00  0.627779D+00 -0.149107D+01  0.124085D+01 -0.499343D+00
      2  -0.101856D+01 -0.185448D+01 -0.113905D+01 -0.183929D+01 -0.217610D+01
      3  -0.824301D+00 -0.120748D+02  0.171556D+01  0.980743D+00  0.510517D+01
                51            52            53            54            55 
      1  -0.355322D+01  0.146692D+01  0.148871D+01  0.792634D+00  0.753529D+00
      2  -0.579596D+01 -0.101356D+02 -0.846025D+01  0.349107D+01 -0.502774D+00
      3   0.116522D+01  0.979474D+00  0.107519D+01  0.678596D+01  0.346098D+01
                56            57            58            59            60 
      1  -0.334710D+01 -0.309044D+01 -0.228601D+01 -0.393001D+01  0.113320D+01
      2  -0.151244D+01  0.834817D+00 -0.350881D+01 -0.109256D+00  0.678828D+01
      3  -0.609399D+00  0.207027D+01  0.133810D+02  0.644257D+01  0.719643D+01
                61            62            63            64            65 
      1  -0.697154D+01  0.988174D+01 -0.278925D-01  0.309578D+01  0.199917D+01
      2  -0.114408D+02  0.994841D+01 -0.179035D+00  0.886260D+01 -0.161330D+01
      3   0.326776D+00  0.686628D+01 -0.544673D+01 -0.118978D+02 -0.792999D+01
                66            67            68            69            70 
      1   0.179229D+01 -0.215937D+00  0.237744D+01  0.158167D+01  0.217614D+01
      2   0.678717D+01 -0.252093D+01  0.164645D+01 -0.615412D+01 -0.265902D+01
      3  -0.376901D+01 -0.547344D+01  0.176267D+01 -0.502477D+01  0.987585D+00
                71            72            73            74            75 
      1   0.177528D+01 -0.259388D+01  0.648328D+00  0.100758D+01  0.868930D+00
      2  -0.107994D+02 -0.178310D+02  0.124851D+01 -0.113772D+01  0.620594D+01
      3  -0.313806D+01  0.832225D+01  0.144950D+02 -0.681304D+01  0.910650D+00
                76            77            78            79            80 
      1  -0.101561D+01  0.215024D+01 -0.789441D+01 -0.441301D+01  0.197433D+01
      2   0.227738D+00 -0.440319D+01 -0.518550D+00 -0.344731D+01  0.562895D+01
      3   0.315524D+01 -0.589101D+01  0.577738D+01 -0.291341D+01  0.769467D+01
                81            82            83            84            85 
      1   0.432962D+01 -0.110760D+00  0.295072D+00 -0.410120D+01  0.126311D+01
      2  -0.122602D+01 -0.227421D+01  0.533268D+00 -0.161081D+01  0.516308D+00
      3  -0.267667D+01 -0.600914D+01  0.448721D-01 -0.886368D+00  0.863260D+01
                86            87            88            89            90 
      1   0.184484D+01  0.101305D+02  0.612822D+01  0.228688D+02  0.177714D+01
      2   0.504309D-01 -0.705359D+00 -0.531336D+01 -0.507415D+01 -0.843215D-02
      3  -0.354346D+01 -0.104838D+01 -0.206909D+01 -0.279627D+01  0.387443D+01
                91            92            93            94            95 
      1  -0.156977D+00 -0.375868D+00 -0.233944D+01  0.241444D+00 -0.133619D+00
      2   0.343926D+00  0.181070D+00  0.406451D+01 -0.894168D+00 -0.714825D+00
      3  -0.267106D+01 -0.620992D+01  0.936451D-01 -0.530010D+01 -0.936996D+01
                96            97            98            99           100 
      1  -0.239354D+01  0.117705D+01  0.118914D+01  0.171667D+00  0.229383D+00
      2   0.322986D+01 -0.177647D+01 -0.868205D+00 -0.264776D+00  0.182980D+01
      3   0.665742D+00  0.899936D+00  0.124203D+01 -0.519875D-01  0.261349D+01
               101           102           103           104           105 
      1   0.384488D+00  0.145894D+01 -0.115189D+00 -0.121997D+00 -0.865061D+00
      2  -0.497248D+00  0.589445D+01 -0.181962D+01  0.849551D+00 -0.214141D+01
      3  -0.592086D+01  0.347158D+00 -0.510074D+01  0.395582D+01 -0.707191D+00
               106           107           108           109           110 
      1  -0.761185D+00  0.651735D+00  0.176415D+00 -0.380207D+00 -0.510650D-01
      2  -0.237312D+01  0.464683D+00  0.593189D+00 -0.628710D+00  0.727099D+00
      3   0.124391D+01 -0.118458D+01  0.229265D+00 -0.440018D+01  0.388584D+01
               111           112           113           114           115 
      1   0.773530D+00  0.384476D+00 -0.100608D+01 -0.459641D+01 -0.230175D+00
      2  -0.140959D+00  0.101254D+01 -0.247242D+01  0.102253D+01 -0.159734D+01
      3  -0.650253D+00  0.638542D+01 -0.155637D+02  0.276523D+01 -0.127050D+01
               116           117           118           119           120 
      1   0.222084D+01  0.560420D+00  0.577564D-01 -0.378986D+00  0.105549D+01
      2   0.577280D+00 -0.913594D-01  0.430726D+00 -0.375552D+00  0.883075D+00
      3   0.336724D+01 -0.379060D+00  0.164202D+01 -0.894259D+00  0.284479D+00
               121           122           123           124           125 
      1  -0.255906D+00 -0.367556D+00 -0.465080D+01 -0.759824D-02  0.199564D+01
      2  -0.125924D+00  0.326021D+01 -0.272433D+01 -0.121985D+01 -0.185819D+00
      3   0.125207D+01  0.173592D+02 -0.286109D+01 -0.113309D+00 -0.318232D+01
               126           127           128           129           130 
      1   0.637187D+00  0.100748D+01  0.388064D+00  0.963409D+00 -0.993331D-01
      2   0.374943D+00  0.147807D+01  0.141809D+00  0.108764D+01  0.928730D+00
      3   0.182770D+00  0.212699D+01 -0.200872D+01 -0.155638D+01  0.156910D+01
               131           132           133           134           135 
      1  -0.770971D-01 -0.398069D+01  0.206043D+01 -0.234583D+00  0.510288D+01
      2   0.286088D+01 -0.443766D+01 -0.705106D+00 -0.440481D+01  0.677776D+01
      3   0.544095D+01 -0.435757D+01 -0.200508D+01 -0.505035D+01  0.465480D+01
               136           137           138           139           140 
      1  -0.633723D+01  0.244344D+01  0.580800D+00  0.548587D+01 -0.601065D+00
      2  -0.722584D+01  0.115975D+02  0.619959D+01  0.104112D+02  0.341555D+01
      3   0.207519D+01 -0.177175D+02 -0.517763D+01 -0.969941D+01 -0.815769D+01
               141           142           143           144           145 
      1  -0.135489D+02  0.525516D+00 -0.789033D+01  0.573560D+01  0.881033D-01
      2  -0.467540D+01  0.236067D+01 -0.545881D+01  0.318941D+01  0.270778D+01
      3  -0.926101D+01 -0.269752D+01 -0.967591D+01  0.492304D+01  0.607760D+00
               146           147           148           149           150 
      1  -0.166006D+01 -0.321515D-01 -0.233710D+00  0.280970D+01  0.462924D+00
      2  -0.611596D+00 -0.324491D+01 -0.673105D+00  0.391974D+01  0.511395D+01
      3   0.181055D+01  0.781187D+00  0.259109D+01 -0.400986D+01 -0.388169D+01
               151           152           153           154           155 
      1   0.732987D-01  0.511822D+01  0.695161D+00 -0.120397D+01  0.140310D+01
      2  -0.131389D+01  0.476725D+01  0.206385D+02 -0.811018D+01  0.847571D+00
      3   0.440362D+00 -0.489998D+01 -0.381653D+01  0.472969D+01 -0.722169D+01
               156           157           158           159           160 
      1   0.193016D+00  0.130044D+01 -0.111456D+01 -0.912431D+00 -0.358430D+00
      2   0.506724D+01  0.134546D+01 -0.110755D+01 -0.410356D+00  0.285029D+01
      3   0.639057D+00 -0.310947D+01  0.376911D+01  0.421452D+00  0.622800D+00
               161           162           163           164           165 
      1   0.463964D+00  0.413743D+00 -0.281328D+01  0.629986D-01 -0.529584D+00
      2   0.230867D+00  0.398133D+00 -0.294174D+00 -0.419325D+00  0.131925D+01
      3   0.129728D+01 -0.476610D-02  0.173392D+01  0.161333D+01  0.320180D+01
               166           167           168           169           170 
      1  -0.168066D+01 -0.585420D+01 -0.768416D+01 -0.263090D+01 -0.950977D+01
      2  -0.354858D+00  0.125795D+01  0.137097D+01 -0.612244D+00  0.240687D+01
      3   0.352952D+01 -0.299549D+01 -0.131026D+01  0.723448D+01 -0.820395D+00
               171           172           173           174           175 
      1  -0.113710D+02  0.199405D+01 -0.292616D+00  0.649183D+00  0.107645D+01
      2   0.192516D+01 -0.126517D+00  0.425980D+00  0.349981D+00  0.715998D+00
      3  -0.215684D+01 -0.520123D+00 -0.862398D+00 -0.256519D+01  0.283839D+01
               176           177           178           179           180 
      1   0.495735D+01 -0.718037D+01 -0.179224D+01 -0.761838D+01  0.994232D+01
      2  -0.238483D+01  0.187928D+01 -0.156444D+01  0.277976D+01 -0.305508D+01
      3  -0.269622D+01  0.240326D+01 -0.480061D+01  0.296110D+01 -0.327260D+01
               181           182           183           184           185 
      1  -0.175977D+01 -0.299567D+00  0.775939D+00 -0.122962D+01 -0.742679D+01
      2  -0.870701D+00 -0.423706D+00 -0.393452D-01  0.256341D+00 -0.243550D+01
      3  -0.152632D+01 -0.247095D+00  0.200565D+01 -0.556914D-01 -0.485928D+01
               186           187           188           189           190 
      1   0.649425D+01  0.208404D+01  0.685863D+01 -0.124285D+02  0.225309D+01
      2   0.563721D+01 -0.176392D+01  0.288673D+01 -0.986825D+01  0.752976D+01
      3   0.386820D+01  0.250737D+01  0.403123D+01 -0.507364D+01 -0.125210D+02
               191           192           193           194           195 
      1  -0.210506D+01  0.358402D+01 -0.209821D+01  0.172466D+01 -0.120186D+01
      2  -0.299173D+01  0.533807D+01 -0.319822D+01  0.106283D+01 -0.167234D+01
      3  -0.104667D+00  0.306271D+00  0.334507D+01  0.178210D+01  0.971926D+00
               196           197           198           199           200 
      1   0.222551D+01  0.294034D+00  0.417435D+00  0.139645D+01  0.674974D+00
      2   0.148672D+01 -0.576713D+00  0.113688D+01 -0.420227D+01 -0.417363D+01
      3  -0.782776D+00  0.604492D+00 -0.184452D+01  0.102482D+02  0.869042D+01
               201           202           203           204           205 
      1  -0.260661D+01  0.744067D+00  0.203231D+01 -0.241789D+01 -0.598861D+00
      2  -0.199321D+01 -0.405998D+01 -0.582336D+01 -0.238121D+01 -0.262605D+01
      3   0.356302D+01  0.100382D+02  0.137623D+02  0.543236D+01  0.205366D+01
               206           207 
      1   0.758683D+00 -0.216838D+01
      2  -0.256421D+01 -0.285583D+01
      3   0.447541D+01  0.360292D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.986188D+00 -0.193421D+02  0.280179D+01  0.290747D+02 -0.561826D+00
      2  -0.303048D+01  0.128148D+02  0.195605D+01 -0.294841D+02 -0.377765D+01
      3   0.401667D+01  0.652728D+01 -0.475785D+01  0.409391D+00  0.433947D+01
      4  -0.191390D+02  0.157075D+02 -0.406605D+01 -0.217105D+01 -0.192369D+02
      5  -0.219427D+01 -0.234453D+01  0.128181D+02  0.669399D+01  0.708819D+01
      6  -0.251086D+01 -0.125749D+01  0.934141D+01  0.724874D+01  0.297052D+01
                 6             7             8             9            10 
      1   0.102609D+01 -0.807661D+01 -0.163242D+01  0.972658D+01 -0.772993D+01
      2  -0.266667D+01  0.971665D+01  0.417234D+01 -0.139369D+02  0.325203D+01
      3   0.164058D+01 -0.164004D+01 -0.253992D+01  0.421033D+01  0.447790D+01
      4   0.101664D+02  0.297968D+01  0.928138D+01  0.135612D+02  0.103404D+02
      5   0.150393D+02  0.290107D+02  0.155654D+02 -0.647619D+01 -0.653722D+01
      6   0.147173D+01  0.849231D+01  0.107827D+02  0.236303D+01 -0.935300D-01
                11            12            13            14            15 
      1   0.740001D+01 -0.651233D+01 -0.204026D+02 -0.197031D+02  0.618409D+01
      2  -0.342564D+01  0.165821D+01  0.197805D+02  0.196000D+02 -0.761034D+01
      3  -0.397436D+01  0.485412D+01  0.622169D+00  0.103120D+00  0.142624D+01
      4   0.235862D+02  0.848448D+00 -0.196736D+02  0.166500D+02 -0.836349D+01
      5   0.190207D+01  0.190467D+02  0.107923D+02 -0.467793D+01 -0.831651D+01
      6  -0.575693D+00 -0.500081D+01 -0.605321D+01 -0.257251D+01 -0.388001D+01
                16            17            18            19            20 
      1  -0.337953D+01  0.736997D+01  0.153084D+02  0.117806D+02  0.122162D+00
      2  -0.213079D+01 -0.491348D+01 -0.191336D+02 -0.826948D+01 -0.276055D+01
      3   0.551033D+01 -0.245650D+01  0.382518D+01 -0.351111D+01  0.263839D+01
      4   0.120974D+02 -0.501924D+01 -0.487040D+01  0.779596D+01 -0.257040D+02
      5   0.359893D+02 -0.811224D+01  0.716162D+01  0.326162D+01  0.202298D+01
      6  -0.368688D+01  0.618573D+01  0.280315D+01  0.247508D+01 -0.139751D+01
                21            22            23            24            25 
      1   0.120313D+01  0.788071D+01  0.107831D+02 -0.477052D+01  0.107688D+01
      2  -0.211068D+01 -0.103284D+01 -0.175962D+02  0.749163D+01 -0.178228D+01
      3   0.907551D+00 -0.684787D+01  0.681314D+01 -0.272111D+01  0.705397D+00
      4   0.364519D+01  0.181455D+02  0.883523D+01  0.925844D+00 -0.176888D+01
      5  -0.590929D+01 -0.153939D+01  0.559039D+00  0.574122D+01  0.311327D+01
      6  -0.549436D+01 -0.171389D+01  0.105438D+02  0.655512D+01  0.912268D+00
                26            27            28            29            30 
      1  -0.400270D+01 -0.130324D+02 -0.332262D+02  0.130639D+02 -0.171350D+01
      2   0.930252D+01 -0.785799D+00  0.196378D+02 -0.641780D+01 -0.543736D+00
      3  -0.529981D+01  0.138182D+02  0.135884D+02 -0.664609D+01  0.225724D+01
      4  -0.251231D+01  0.115873D+02 -0.105309D+02  0.922392D+01 -0.502576D+00
      5   0.106154D+02 -0.797392D+01 -0.288456D+01  0.933616D+00 -0.332742D+01
      6   0.132977D+02 -0.485493D+01  0.199613D+01 -0.369937D-02 -0.213433D+01
                31            32            33            34            35 
      1   0.138169D+02 -0.314088D+01  0.107687D+01 -0.662889D+01  0.258838D+01
      2  -0.527956D+01  0.646063D+01 -0.318854D+01 -0.811602D+00 -0.115019D+01
      3  -0.853735D+01 -0.331976D+01  0.211167D+01  0.744049D+01 -0.143819D+01
      4  -0.430769D+01  0.777237D+01 -0.156073D+01  0.416823D+01 -0.223777D+01
      5   0.229988D+01 -0.950086D+00 -0.533565D+00  0.159906D+01  0.170040D-01
      6  -0.632403D+01 -0.263514D+01  0.214640D+01 -0.863553D+00  0.764437D+01
                36            37            38            39            40 
      1  -0.116634D+02 -0.171007D+02 -0.271940D+02  0.252741D+01 -0.167271D+02
      2   0.117079D+00  0.143814D+02  0.200177D+02  0.498227D+00  0.591400D+01
      3   0.115463D+02  0.271921D+01  0.717626D+01 -0.302564D+01  0.108131D+02
      4  -0.242464D+01 -0.565127D+01  0.166766D+01 -0.129816D+01 -0.747401D-01
      5  -0.935502D+00  0.247968D+01  0.749017D+00 -0.186751D+01  0.460419D+00
      6   0.328722D+00 -0.282319D+01 -0.112288D+00  0.129646D+01  0.789247D+01
                41            42            43            44            45 
      1  -0.102156D+02 -0.340441D+00  0.134768D+01 -0.210386D+01 -0.148500D+02
      2   0.110101D+02 -0.909632D+00  0.236388D+01  0.208183D+01  0.410461D+01
      3  -0.794572D+00  0.125007D+01 -0.371156D+01  0.220300D-01  0.107454D+02
      4  -0.818906D+01  0.287834D+01  0.731238D+00  0.192267D+01 -0.218100D+01
      5   0.313575D+01 -0.346526D+00  0.200859D+01 -0.264903D+01 -0.527289D+00
      6  -0.265390D+00  0.172529D+01 -0.867592D+00  0.111802D+02  0.178605D+01
                46            47            48            49            50 
      1   0.127661D+02  0.176818D+02  0.724400D-01 -0.198690D+02  0.138761D+02
      2  -0.124290D+02 -0.128420D+02  0.927081D+00  0.166053D+02 -0.216102D+02
      3  -0.337110D+00 -0.483988D+01 -0.999521D+00  0.326373D+01  0.773406D+01
      4   0.632132D+01 -0.204440D+02  0.453457D+01  0.123675D+02 -0.199488D+01
      5  -0.276498D+01  0.228704D+01 -0.465423D+01 -0.387528D+00 -0.462757D+01
      6   0.474875D+01 -0.996718D+00  0.231481D+01 -0.258217D+01  0.106608D+02
                51            52            53            54            55 
      1  -0.380101D+01  0.387843D+01 -0.200401D+01 -0.670300D+01  0.212990D+02
      2   0.704482D+01 -0.464038D+01  0.883265D+01 -0.455053D+01 -0.102880D+02
      3  -0.324380D+01  0.761954D+00 -0.682864D+01  0.112535D+02 -0.110109D+02
      4  -0.428467D+01  0.117787D+01 -0.777832D+01 -0.139704D+02 -0.433734D+01
      5  -0.108626D+02  0.797114D+01 -0.146380D+02  0.676288D+01  0.205229D+01
      6   0.683714D+01 -0.434393D+01  0.128180D+02 -0.293365D+01 -0.333294D+01
                56            57            58            59            60 
      1  -0.149851D+02 -0.399764D+01 -0.198404D+02  0.398238D+01 -0.939170D+01
      2   0.115101D+02  0.484356D+01  0.132396D+02  0.130591D+01  0.775887D+01
      3   0.347494D+01 -0.845914D+00  0.660086D+01 -0.528829D+01  0.163283D+01
      4  -0.748722D+01 -0.472354D+01 -0.138594D+02  0.752899D+01 -0.526262D+01
      5  -0.652122D+01 -0.728871D+01 -0.883030D+01 -0.704694D+01  0.139117D+02
      6   0.415947D+01  0.490798D+01  0.553463D+00  0.797004D+01 -0.175589D+02
                61            62            63            64            65 
      1  -0.653890D+00 -0.790604D+01  0.116107D+02 -0.505831D+02  0.145360D+02
      2   0.474905D+01  0.113432D+01 -0.107402D+02  0.259473D+02 -0.102773D+02
      3  -0.409516D+01  0.677173D+01 -0.870456D+00  0.246358D+02 -0.425868D+01
      4  -0.118849D+02  0.249774D+01  0.207672D+02  0.155350D+02  0.384858D+01
      5  -0.155346D+02  0.195619D+02 -0.222289D+01 -0.759321D+01  0.690778D+01
      6   0.161919D+02 -0.232775D+02  0.102064D+02  0.298414D+01  0.149037D+01
                66            67            68            69            70 
      1  -0.523612D+01  0.217013D+02  0.846022D+01  0.871263D+01  0.859574D+00
      2  -0.233034D+01 -0.131745D+02 -0.111666D+02  0.918589D-01  0.144032D+01
      3   0.756647D+01 -0.852673D+01  0.270636D+01 -0.880449D+01 -0.229990D+01
      4   0.467618D+01 -0.867860D+00  0.123481D+01  0.593216D+01  0.481000D+01
      5   0.743447D+01  0.106077D+02  0.772247D+01 -0.429095D+01 -0.173012D+01
      6   0.709478D+00  0.209904D+01 -0.582941D+00 -0.469339D+01 -0.265777D+01
                71            72            73            74            75 
      1   0.314789D+01  0.156286D+02  0.322642D+02  0.873005D+01  0.356252D+00
      2   0.975219D+01  0.149680D+02 -0.185899D+02 -0.643628D+01 -0.143042D+01
      3  -0.129001D+02 -0.305965D+02 -0.136743D+02 -0.229377D+01  0.107417D+01
      4  -0.506284D-01 -0.143201D+02  0.129519D+02  0.108810D+02 -0.514941D+01
      5  -0.139751D+02 -0.270388D+02 -0.530442D+01 -0.332683D+01  0.964503D+01
      6  -0.189776D+01 -0.116767D+02 -0.135110D+01 -0.695400D+01 -0.476694D+01
                76            77            78            79            80 
      1  -0.870249D+01 -0.687277D+01  0.771654D+00 -0.600100D+01 -0.613551D+00
      2   0.945972D+01  0.156490D+02  0.159683D+01  0.438330D+01 -0.405947D+01
      3  -0.757227D+00 -0.877619D+01 -0.236849D+01  0.161770D+01  0.467302D+01
      4   0.124314D+02  0.105512D+02 -0.691273D+01 -0.552223D+01 -0.633895D+01
      5  -0.474038D+01 -0.653250D+01 -0.262799D+01  0.105417D+02  0.796724D+01
      6  -0.360940D+00 -0.229745D+01  0.110238D+02  0.380371D+01  0.107198D+02
                81            82            83            84            85 
      1  -0.759344D+01 -0.127966D+02 -0.444081D+01 -0.450102D+00  0.195103D+02
      2  -0.379689D+01  0.103866D+02  0.716550D+01  0.237964D+01 -0.173577D+02
      3   0.113903D+02  0.241003D+01 -0.272469D+01 -0.192954D+01 -0.215264D+01
      4   0.961190D+01  0.163864D+01 -0.157358D+01  0.189629D+01 -0.825420D+00
      5  -0.280657D+01 -0.167640D+01  0.906353D+00 -0.662251D+01 -0.214249D+01
      6  -0.198917D+01 -0.578098D+00  0.113911D+01  0.942015D+01 -0.349304D+01
                86            87            88            89            90 
      1   0.399419D+02  0.146899D+01  0.580792D+01  0.613456D+01  0.322980D+02
      2  -0.381810D+02 -0.249828D+01 -0.606888D+01 -0.903947D+01 -0.308833D+02
      3  -0.176092D+01  0.102929D+01  0.260966D+00  0.290492D+01 -0.141468D+01
      4  -0.724543D+01 -0.209053D+01 -0.279394D+01 -0.405883D+01 -0.853344D+01
      5  -0.292111D+01 -0.454418D+01 -0.274015D+01 -0.105127D+02 -0.141275D+01
      6  -0.440518D+01 -0.289291D+02 -0.799554D+01 -0.451170D+02 -0.438907D+01
                91            92            93            94            95 
      1   0.482460D+02  0.236280D+02 -0.222782D+01  0.206366D+02  0.146577D+02
      2  -0.188407D+02 -0.615135D+01  0.110407D+01 -0.156013D+01  0.361471D+01
      3  -0.294053D+02 -0.174766D+02  0.112375D+01 -0.190765D+02 -0.182724D+02
      4   0.450833D+02  0.320219D+02 -0.226779D+01  0.387319D+02  0.375513D+02
      5  -0.521006D+01 -0.272487D+01  0.733761D+01 -0.514085D+01 -0.436427D+01
      6  -0.887494D+00 -0.692784D+00  0.310420D+01 -0.217422D+01 -0.194833D+01
                96            97            98            99           100 
      1  -0.178031D+01 -0.942868D+00 -0.735712D+00  0.838770D+00  0.946432D+02
      2   0.851605D+00 -0.585194D+00 -0.822476D+00  0.446749D+00 -0.519696D+02
      3   0.928701D+00  0.152806D+01  0.155819D+01 -0.128552D+01 -0.426735D+02
      4  -0.351483D+01 -0.410505D+01 -0.376693D+01  0.280164D+01 -0.320750D+02
      5   0.513189D+01  0.213189D+01  0.142228D+01 -0.761013D+00  0.119494D+02
      6   0.417486D+01  0.120094D+01  0.170726D+01 -0.948770D+00 -0.466805D+00
               101           102           103           104           105 
      1  -0.213729D+02  0.839016D+01 -0.197961D+02  0.136939D+02 -0.314781D+01
      2   0.105192D+02 -0.553783D+01  0.847926D+01 -0.538523D+01  0.209965D+01
      3   0.108536D+02 -0.285233D+01  0.113169D+02 -0.830864D+01  0.104816D+01
      4   0.159049D+02 -0.299417D+01  0.229015D+02 -0.125739D+02  0.276233D+01
      5  -0.277819D+01  0.103087D+02 -0.536722D+01  0.285454D+01 -0.332281D+01
      6   0.662954D+00 -0.173516D+01  0.152847D+01 -0.777311D+00  0.219325D+01
               106           107           108           109           110 
      1   0.991076D+01 -0.322258D+01  0.325184D+01 -0.394729D+01  0.651096D+01
      2  -0.531315D+01  0.144600D+01 -0.173940D+01  0.548294D+01 -0.581339D+01
      3  -0.459761D+01  0.177658D+01 -0.151245D+01 -0.153565D+01 -0.697572D+00
      4  -0.614917D+01  0.310044D+01 -0.235277D+01  0.973661D+00  0.671103D+01
      5   0.336492D+01 -0.106262D+01  0.227079D+01 -0.399942D+00 -0.546580D+00
      6  -0.748833D+00  0.959815D+00 -0.825728D+00 -0.157391D+01  0.213875D+01
               111           112           113           114           115 
      1  -0.186335D+01  0.377701D+01 -0.374191D+02  0.713732D+01 -0.125177D+01
      2   0.115680D+01 -0.313647D+01  0.520217D+02 -0.727791D+01  0.137040D+01
      3   0.706553D+00 -0.640535D+00 -0.146025D+02  0.140590D+00 -0.118627D+00
      4  -0.700017D+00  0.539807D+01  0.190272D+02 -0.388637D+01 -0.869130D+00
      5   0.111187D+01 -0.820080D+00 -0.466123D+01  0.228265D+01  0.636173D+00
      6  -0.118331D+01  0.271153D+00 -0.135684D+02  0.905288D+01 -0.219989D+00
               116           117           118           119           120 
      1   0.745017D+01 -0.343973D+01  0.154549D+01 -0.309473D+01  0.543270D+00
      2  -0.907056D+01  0.391937D+01  0.337640D+01 -0.266138D+01  0.158729D+00
      3   0.162039D+01 -0.479641D+00 -0.492189D+01  0.575611D+01 -0.701999D+00
      4  -0.306313D+01 -0.199536D+00 -0.108562D+02  0.155344D+02 -0.297599D+01
      5   0.468620D+00 -0.153646D+00  0.195406D+01 -0.270190D+01  0.281715D+01
      6   0.544769D+01 -0.319106D+01 -0.184758D+01  0.206365D+01 -0.176634D+01
               121           122           123           124           125 
      1   0.139070D+01 -0.247573D+02  0.420831D+01  0.215765D+00  0.420329D+01
      2  -0.827343D+01  0.449268D+02 -0.526143D+01  0.802588D+00 -0.707018D+01
      3   0.688272D+01 -0.201694D+02  0.105312D+01 -0.101835D+01  0.286689D+01
      4   0.172587D+02 -0.433687D+02  0.733196D+01 -0.365910D+01  0.867168D+01
      5  -0.279471D+01  0.659597D+01 -0.491963D+01  0.144459D+01 -0.208514D+01
      6   0.281481D+01 -0.110154D+02  0.869604D+01 -0.153350D+01  0.541833D+01
               126           127           128           129           130 
      1  -0.281896D+01  0.309241D+00 -0.113194D+01  0.266542D+01  0.407758D+01
      2   0.370060D+01 -0.394450D+00  0.536561D-01 -0.193258D+01 -0.411721D+01
      3  -0.881640D+00  0.852091D-01  0.107828D+01 -0.732843D+00  0.396366D-01
      4  -0.248046D+01 -0.415329D+01  0.708290D+01 -0.377833D+01  0.100743D+02
      5   0.150943D+01  0.483486D+01 -0.283184D+01  0.740358D+01 -0.317745D+01
      6  -0.308131D+01 -0.582100D+01  0.112517D+01 -0.199748D+01  0.415430D+01
               131           132           133           134           135 
      1  -0.144443D+02  0.966402D+01 -0.737821D+00  0.109169D+02 -0.159095D+02
      2   0.145265D+02 -0.781293D+01 -0.768320D+00 -0.509255D+01  0.623378D+00
      3  -0.821511D-01 -0.185110D+01  0.150614D+01 -0.582438D+01  0.152861D+02
      4  -0.146980D+02  0.754894D+01 -0.529289D+01  0.875834D+01 -0.103053D+02
      5   0.792860D+01 -0.963563D+01  0.992242D+01 -0.106307D+02  0.158337D+02
      6  -0.168393D+02  0.180453D+02 -0.749638D+01  0.186910D+02 -0.236109D+02
               136           137           138           139           140 
      1  -0.217340D+02  0.317394D+02  0.763371D+01  0.298030D+02  0.740825D+01
      2  -0.803981D+01 -0.184803D+02 -0.973492D+01 -0.152862D+02 -0.989700D+01
      3   0.297738D+02 -0.132590D+02  0.210121D+01 -0.145168D+02  0.248876D+01
      4   0.402353D+02 -0.170596D+02  0.575669D+01 -0.960308D+01 -0.220367D+01
      5   0.449253D+01  0.322679D+00  0.525736D+01  0.297144D+01  0.915024D+00
      6  -0.314053D+01 -0.113920D+02 -0.699379D+01 -0.101029D+02 -0.653090D+01
               141           142           143           144           145 
      1   0.328982D+01  0.542014D+01  0.382479D+01 -0.282246D+01  0.324362D+01
      2  -0.186194D+02 -0.933011D+01 -0.129333D+02  0.146411D+02 -0.448091D+01
      3   0.153296D+02  0.390997D+01  0.910847D+01 -0.118186D+02  0.123729D+01
      4  -0.245830D+00  0.177196D+02 -0.794508D+01 -0.192395D+02  0.385234D+00
      5  -0.164699D+02  0.103121D+02 -0.192104D+02  0.151743D+01  0.438774D+01
      6   0.690312D+01 -0.139808D+02  0.114626D+02  0.576482D+01  0.138154D+01
               146           147           148           149           150 
      1   0.102125D+01  0.807054D+01  0.327116D+00 -0.656721D+01 -0.622473D+01
      2   0.352106D+00 -0.827834D-01 -0.111364D+01  0.134681D+01 -0.203317D+01
      3  -0.137336D+01 -0.798775D+01  0.786520D+00  0.522040D+01  0.825789D+01
      4  -0.993423D+00  0.462102D+00  0.340798D+01  0.649423D+01  0.739031D+01
      5   0.245466D-01  0.903965D+00  0.327119D+01  0.647914D+01  0.942942D+01
      6  -0.816963D+00 -0.140672D+01  0.145735D+01  0.698519D+01  0.115572D+02
               151           152           153           154           155 
      1   0.410102D+01 -0.448636D+01 -0.183562D+02  0.798508D+02 -0.887693D+01
      2  -0.703409D+01 -0.322122D+01 -0.226117D+02 -0.447492D+02  0.497643D+01
      3   0.293308D+01  0.770757D+01  0.409679D+02 -0.351016D+02  0.390050D+01
      4   0.295987D+01  0.788594D+01  0.926684D+01 -0.860454D+01  0.103965D+02
      5   0.127073D+02  0.858245D+01  0.364051D+02  0.176630D+02 -0.236179D+01
      6   0.229191D+01  0.777371D+01  0.131771D+02 -0.151519D+01  0.135703D+01
               156           157           158           159           160 
      1   0.590662D+01 -0.147182D+02  0.820907D+01 -0.229474D+01 -0.169358D+01
      2  -0.524232D+01  0.819702D+01 -0.313899D+01  0.893911D+00 -0.887657D+00
      3  -0.664304D+00  0.652122D+01 -0.507009D+01  0.140083D+01  0.258124D+01
      4  -0.758958D+00  0.132267D+02 -0.613873D+01  0.572598D+00 -0.560611D+00
      5   0.106431D+02 -0.475074D+01  0.145417D+01 -0.173663D+01  0.115151D+02
      6  -0.521420D+00  0.232851D+01 -0.134009D+01  0.232220D+01 -0.835215D+00
               161           162           163           164           165 
      1  -0.265743D+00  0.614920D+01 -0.951727D+00  0.287315D+01  0.122380D+01
      2  -0.747287D+00 -0.603546D+01  0.205554D+01 -0.252397D+01 -0.144074D+01
      3   0.101303D+01 -0.113737D+00 -0.110381D+01 -0.349178D+00  0.216944D+00
      4  -0.886331D+00 -0.475685D+00  0.309243D+01  0.796216D+01  0.497725D+01
      5  -0.820611D+00  0.350222D+01  0.204948D+01  0.316062D+01  0.530827D+01
      6   0.131330D+01  0.290620D+00  0.702321D+01  0.618651D+00  0.976259D+00
               166           167           168           169           170 
      1  -0.429859D+01 -0.318693D+02 -0.119958D+02 -0.268819D+01 -0.245915D+02
      2   0.611375D+01  0.405485D+02  0.145545D+02  0.334874D+01  0.262657D+02
      3  -0.181515D+01 -0.867917D+01 -0.255872D+01 -0.660552D+00 -0.167422D+01
      4   0.683491D+01  0.109423D+02  0.421831D+01  0.824894D+01  0.830396D+01
      5   0.256047D+01  0.434211D+01  0.363153D+01  0.535548D+01  0.746404D+01
      6   0.375889D+01  0.224875D+02  0.182648D+02  0.685834D+01  0.323531D+02
               171           172           173           174           175 
      1  -0.221025D+02 -0.135565D+00  0.352495D+01 -0.317097D+01 -0.403322D+01
      2   0.169861D+02  0.490055D+00 -0.362696D+01  0.196186D+01  0.486752D+01
      3   0.511640D+01 -0.354490D+00  0.102012D+00  0.120911D+01 -0.834299D+00
      4   0.628960D+01  0.936708D+00  0.667785D+01 -0.457361D+01  0.547102D+01
      5   0.625465D+01 -0.124729D+01 -0.257368D+01  0.375041D+01 -0.167654D+01
      6   0.263870D+02 -0.572411D+01  0.211270D+01 -0.153694D+01 -0.228705D+01
               176           177           178           179           180 
      1  -0.275147D+02  0.128215D+02  0.951193D+00  0.197230D+02 -0.212753D+02
      2   0.334183D+02 -0.141449D+02 -0.121936D+01 -0.191474D+02  0.145432D+02
      3  -0.590359D+01  0.132346D+01  0.268162D+00 -0.575554D+00  0.673212D+01
      4   0.780632D+01 -0.321841D+01 -0.600108D+01 -0.531427D+01  0.483189D+01
      5  -0.404988D+01  0.377757D+01  0.398667D+01  0.640547D+01 -0.553946D+01
      6  -0.204324D+02  0.185074D+02  0.485568D+01  0.275778D+02 -0.240194D+02
               181           182           183           184           185 
      1   0.382956D+01 -0.173124D+01 -0.445820D+01  0.926114D+00 -0.683230D+00
      2  -0.381462D+01  0.629438D+00  0.410151D+01 -0.225394D+01 -0.587123D+01
      3  -0.149356D-01  0.110181D+01  0.356695D+00  0.132782D+01  0.655446D+01
      4  -0.243447D+01  0.219078D+01  0.424815D+00 -0.538821D-01  0.851411D+01
      5  -0.508565D+01 -0.167350D+01  0.506330D+01 -0.577771D+01 -0.382136D+01
      6   0.849595D+00  0.124070D+01  0.602260D+00  0.158601D+01 -0.272958D+01
               186           187           188           189           190 
      1   0.187612D+01 -0.392918D+01 -0.585135D+00 -0.795229D+01  0.462405D+02
      2   0.121182D+02  0.633466D+01  0.970819D+01 -0.204013D+02 -0.101542D+02
      3  -0.139943D+02 -0.240547D+01 -0.912306D+01  0.283536D+02 -0.360862D+02
      4  -0.383875D+01  0.649819D+00 -0.489070D+01  0.593963D+01 -0.527756D+02
      5   0.121573D+02  0.871542D+01  0.544659D+01 -0.208797D+02 -0.143891D+02
      6  -0.186217D+01 -0.126165D+01  0.250104D+01  0.744121D+01  0.544674D+01
               191           192           193           194           195 
      1  -0.147715D+02 -0.107953D+00 -0.107103D+02  0.337509D+01 -0.944805D+00
      2  -0.347002D+01  0.207936D+01 -0.484812D+01  0.972828D+01  0.137196D+01
      3   0.182415D+02 -0.197140D+01  0.155584D+02 -0.131034D+02 -0.427158D+00
      4   0.320350D+02  0.280534D+01  0.273485D+02 -0.229974D+02 -0.147321D+01
      5   0.654150D+01  0.984917D+01  0.455400D+01 -0.372520D+01 -0.261349D+01
      6  -0.399727D+01 -0.641760D+01 -0.240614D+01  0.408849D+01  0.370519D+01
               196           197           198           199           200 
      1   0.444597D+01 -0.131890D+01  0.420072D+01 -0.745372D+01 -0.171764D+02
      2   0.155273D+01 -0.105841D+01 -0.265771D+01  0.103538D+02  0.184909D+02
      3  -0.599870D+01  0.237732D+01 -0.154301D+01 -0.290005D+01 -0.131449D+01
      4  -0.677052D+01  0.422936D+01 -0.463155D+01  0.280321D+01  0.310800D+01
      5   0.774875D+01 -0.227719D+01 -0.116386D+00  0.288227D+01  0.848174D+00
      6  -0.499794D+01  0.304152D+01 -0.108814D+01  0.476116D+01  0.100878D+02
               201           202           203           204           205 
      1  -0.803009D+01 -0.121810D+02 -0.281573D+02 -0.110265D+02 -0.384521D+01
      2   0.574804D+01  0.109754D+02  0.375049D+02  0.111113D+02  0.269625D+01
      3   0.228205D+01  0.120563D+01 -0.934762D+01 -0.848159D-01  0.114896D+01
      4  -0.168183D-01  0.736858D+01 -0.672593D+01 -0.235519D+01 -0.165169D+00
      5  -0.915091D+00  0.293404D+01 -0.169693D+01 -0.882287D+00  0.146026D+01
      6   0.828220D+01  0.452427D+01  0.184553D+02  0.118559D+02  0.441799D+01
               206           207 
      1  -0.937143D+01 -0.923617D+01
      2   0.814927D+01  0.448005D+01
      3   0.122216D+01  0.475613D+01
      4  -0.789049D+00  0.132767D+01
      5  -0.722740D-02 -0.165381D+01
      6   0.106950D+02  0.828224D+01
 Leave Link  716 at Sun Jul 18 15:18:31 2021, MaxMem=  5637144576 cpu:               4.2 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.149530D+03 -0.246446D+01  0.271985D+01
      2  -0.246446D+01  0.131278D+03 -0.377854D+01
      3   0.271985D+01 -0.377854D+01  0.881140D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.223227D+01 -0.532220D+01 -0.119389D+02
      2   0.727336D+01 -0.121315D+02 -0.365600D+01
      3   0.622186D+01 -0.494593D+02  0.931553D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.141182D+03  0.146549D+02  0.345254D+01
      2  -0.727199D+02  0.692257D+01  0.100456D+02
      3  -0.684616D+02 -0.215775D+02 -0.134981D+02
      4   0.530261D+02  0.691006D+02 -0.277788D+02
      5   0.172720D+01 -0.290311D+02 -0.142458D+02
      6  -0.128251D+02  0.750482D+01  0.155461D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.221319D+01  0.172316D+01 -0.359950D+00  0.402548D+01 -0.114657D+01
      2   0.172316D+01  0.180340D+01 -0.509139D+00 -0.114657D+01  0.242645D+01
      3  -0.359950D+00 -0.509139D+00  0.247956D+01  0.868961D+00  0.102072D+01
                 6             7             8             9            10 
      1   0.868961D+00 -0.114805D+01  0.833284D+00  0.409926D+01  0.493542D+01
      2   0.102072D+01  0.833284D+00  0.687163D+00  0.280107D+01 -0.986046D+00
      3   0.203059D+01  0.409926D+01  0.280107D+01 -0.757823D+00 -0.452756D+00
                11            12            13            14            15 
      1  -0.986046D+00 -0.452756D+00 -0.187374D+01 -0.129981D+01  0.115496D+01
      2   0.258928D+01  0.144447D-01 -0.129981D+01 -0.256965D+01 -0.828762D+00
      3   0.144447D-01  0.291328D+01  0.115496D+01 -0.828762D+00 -0.934300D+00
                16            17            18            19            20 
      1  -0.120937D+00  0.122733D+01  0.494981D+01  0.387823D-01 -0.470698D+01
      2   0.122733D+01  0.147983D+00 -0.129450D+01 -0.470698D+01  0.175112D+00
      3   0.494981D+01 -0.129450D+01  0.132084D+01  0.282977D+00 -0.226063D+00
                21            22            23            24            25 
      1   0.282977D+00  0.450907D+01 -0.899546D+00 -0.111122D+00 -0.778098D+00
      2  -0.226063D+00 -0.899546D+00  0.181264D+01  0.978306D+00 -0.985133D+00
      3  -0.784507D+00 -0.111122D+00  0.978306D+00  0.199370D+01  0.830400D-01
                26            27            28            29            30 
      1  -0.985133D+00  0.830400D-01 -0.113469D+02  0.547153D+01 -0.322770D+00
      2   0.119411D+01  0.334365D+01  0.547153D+01 -0.556102D+01  0.202561D+00
      3   0.334365D+01 -0.213404D+01 -0.322770D+00  0.202561D+00 -0.187091D+01
                31            32            33            34            35 
      1   0.928294D+01  0.137548D+01 -0.666382D+00 -0.184593D+01 -0.815872D+00
      2   0.137548D+01  0.227996D+01 -0.332319D+00 -0.815872D+00 -0.205678D+00
      3  -0.666382D+00 -0.332319D+00  0.407533D+00 -0.293314D+01  0.175295D+01
                36            37            38            39            40 
      1  -0.293314D+01 -0.128377D+01 -0.415484D+01  0.561696D+00 -0.124666D+02
      2   0.175295D+01 -0.415484D+01 -0.636383D+01  0.266596D+00 -0.239410D+01
      3  -0.912406D+00  0.561696D+00  0.266596D+00 -0.150844D+01 -0.418333D+00
                41            42            43            44            45 
      1  -0.239410D+01 -0.418333D+00  0.274408D+01 -0.119011D+00 -0.189219D+01
      2  -0.528833D+01 -0.164525D+00 -0.119011D+00 -0.523475D+00 -0.280645D+01
      3  -0.164525D+00 -0.911583D+00 -0.189219D+01 -0.280645D+01  0.498291D+00
                46            47            48            49            50 
      1  -0.303908D+01  0.342601D+01 -0.276602D+00 -0.401783D+01  0.448023D+00
      2   0.342601D+01  0.251991D+01  0.380416D+00  0.448023D+00 -0.102902D+01
      3  -0.276602D+00  0.380416D+00 -0.365684D+00  0.403768D-01 -0.905433D+00
                51            52            53            54            55 
      1   0.403768D-01  0.492587D+00  0.531156D+00  0.127939D+01  0.152175D+01
      2  -0.905433D+00  0.531156D+00 -0.136330D+01 -0.325354D+01 -0.613890D+00
      3  -0.221297D+01  0.127939D+01 -0.325354D+01  0.206136D+01 -0.300392D+00
                56            57            58            59            60 
      1  -0.613890D+00 -0.300392D+00 -0.210411D+01  0.455802D+01  0.147357D+01
      2   0.311932D+01  0.175175D+01  0.455802D+01 -0.161717D+01  0.204513D+01
      3   0.175175D+01  0.211149D+01  0.147357D+01  0.204513D+01 -0.407497D+01
                61            62            63            64            65 
      1  -0.220252D+01  0.201588D+01  0.358413D+01  0.726002D+01 -0.268293D+01
      2   0.201588D+01  0.635232D+00 -0.520472D+01 -0.268293D+01 -0.179381D+01
      3   0.358413D+01 -0.520472D+01  0.134522D+01 -0.586861D-01 -0.113545D+01
                66            67            68            69            70 
      1  -0.586861D-01 -0.452111D+01 -0.101242D+01 -0.105682D+01 -0.254265D+00
      2  -0.113545D+01 -0.101242D+01 -0.456440D-01 -0.138678D+01 -0.261372D+00
      3  -0.232585D+01 -0.105682D+01 -0.138678D+01  0.148905D+01 -0.206786D-01
                71            72            73            74            75 
      1  -0.261372D+00 -0.206786D-01 -0.616291D+01 -0.474889D+00  0.105773D+01
      2  -0.922777D+00  0.372732D+01 -0.474889D+00  0.126486D+01  0.912776D+00
      3   0.372732D+01  0.668788D+01  0.105773D+01  0.912776D+00  0.422614D+00
                76            77            78            79            80 
      1   0.858721D+00 -0.168012D+01  0.543050D+00  0.110830D+01 -0.110471D+00
      2  -0.168012D+01 -0.306889D+01  0.136461D+01 -0.110471D+00  0.140020D+01
      3   0.543050D+00  0.136461D+01  0.817542D-01 -0.127446D+01 -0.214474D+01
                81            82            83            84            85 
      1  -0.127446D+01  0.250443D+01 -0.140412D+00  0.404908D-01  0.123718D+01
      2  -0.214474D+01 -0.140412D+00 -0.127448D+01 -0.225341D+00  0.370133D+01
      3   0.129965D+00  0.404908D-01 -0.225341D+00 -0.908596D+00  0.439625D+00
                86            87            88            89            90 
      1   0.370133D+01  0.439625D+00  0.421186D+00  0.106653D+01  0.128817D+01
      2   0.867028D+01  0.638321D+00  0.106653D+01  0.212260D+01  0.682189D+01
      3   0.638321D+00  0.400178D+01  0.128817D+01  0.682189D+01  0.850315D+00
                91            92            93            94            95 
      1   0.782490D+01  0.441940D+01 -0.376908D+00  0.455132D+01  0.424731D+01
      2   0.441940D+01  0.314707D+01 -0.225651D+00  0.424731D+01  0.450071D+01
      3  -0.376908D+00 -0.225651D+00  0.670568D+00 -0.537797D+00 -0.442744D+00
                96            97            98            99           100 
      1  -0.537797D+00 -0.354421D+00 -0.446471D+00  0.513225D-01  0.122936D+02
      2  -0.442744D+00 -0.446471D+00 -0.660839D+00  0.803506D-01 -0.297880D+01
      3   0.604062D+00  0.513225D-01  0.803506D-01 -0.123584D+00  0.124799D+01
               101           102           103           104           105 
      1  -0.297880D+01  0.124799D+01 -0.297900D+01  0.237735D+01 -0.630215D+00
      2   0.141376D+01 -0.317136D+00  0.237735D+01 -0.137394D+01  0.326807D+00
      3  -0.317136D+00  0.904600D+00 -0.630215D+00  0.326807D+00 -0.355114D+00
               106           107           108           109           110 
      1   0.151206D+01 -0.645010D+00  0.149749D+00 -0.448639D+00  0.135370D+01
      2  -0.645010D+00  0.428935D+00 -0.109252D+00  0.135370D+01 -0.980156D+00
      3   0.149749D+00 -0.109252D+00  0.207865D+00 -0.223734D+00  0.305415D+00
               111           112           113           114           115 
      1  -0.223734D+00  0.108242D+01 -0.556305D+00  0.394401D-01 -0.221463D+00
      2   0.305415D+00 -0.556305D+00  0.972379D+01 -0.173659D+01  0.288709D+00
      3  -0.150052D+00  0.394401D-01 -0.173659D+01  0.114389D+01  0.348899D-01
               116           117           118           119           120 
      1   0.288709D+00  0.348899D-01  0.113107D+01 -0.170978D+01  0.372743D+00
      2  -0.192523D+01  0.488790D+00 -0.170978D+01  0.170804D+01 -0.378586D+00
      3   0.488790D+00 -0.280103D+00  0.372743D+00 -0.378586D+00  0.337355D+00
               121           122           123           124           125 
      1  -0.161627D+01  0.247132D+01 -0.461440D+00  0.279528D+00 -0.546238D+00
      2   0.247132D+01 -0.101555D+02  0.171748D+01 -0.546238D+00  0.194404D+01
      3  -0.461440D+00  0.171748D+01 -0.115503D+01  0.234468D+00 -0.535436D+00
               126           127           128           129           130 
      1   0.234468D+00 -0.268551D+00  0.940470D+00 -0.119468D+01  0.214738D+01
      2  -0.535436D+00  0.940470D+00 -0.572887D+00  0.108190D+00 -0.195793D+01
      3   0.275069D+00 -0.119468D+01  0.108190D+00 -0.673733D+00  0.488627D+00
               131           132           133           134           135 
      1  -0.195793D+01  0.488627D+00 -0.167047D+01  0.838899D+00 -0.162194D+01
      2   0.445619D+01 -0.262368D+01  0.838899D+00 -0.280270D+01  0.336197D+01
      3  -0.262368D+01  0.298717D+01 -0.162194D+01  0.336197D+01 -0.525130D+01
               136           137           138           139           140 
      1   0.619945D+01 -0.507638D+01  0.206112D+00 -0.262862D+01 -0.194689D+01
      2  -0.507638D+01 -0.106209D+01 -0.232564D+01 -0.194689D+01 -0.111959D+01
      3   0.206112D+00 -0.232564D+01 -0.144145D+01 -0.236994D+01 -0.131989D+01
               141           142           143           144           145 
      1  -0.236994D+01  0.440640D+01 -0.392874D+01 -0.213331D+01 -0.615949D+00
      2  -0.131989D+01 -0.392874D+01  0.557843D+00  0.388346D+01 -0.109528D+00
      3   0.355071D+01 -0.213331D+01  0.388346D+01 -0.801057D+00 -0.106156D+01
               146           147           148           149           150 
      1  -0.109528D+00 -0.106156D+01 -0.959869D-01 -0.188511D+00 -0.348714D+00
      2   0.563747D+00  0.344371D+00 -0.188511D+00 -0.152352D+01 -0.175505D+01
      3   0.344371D+00  0.119076D+01 -0.348714D+00 -0.175505D+01 -0.231825D+01
               151           152           153           154           155 
      1  -0.143203D+01 -0.344142D+00 -0.158484D+01 -0.122517D+02  0.141691D+01
      2  -0.344142D+00 -0.173068D+01 -0.212783D+01  0.141691D+01 -0.118001D+01
      3  -0.158484D+01 -0.212783D+01 -0.908478D+01 -0.108183D+01  0.139795D+00
               156           157           158           159           160 
      1  -0.108183D+01  0.251518D+01 -0.155365D+01  0.370951D+00  0.285405D+00
      2   0.139795D+00 -0.155365D+01  0.945380D+00 -0.176956D-01  0.641759D-01
      3  -0.104708D+01  0.370951D+00 -0.176956D-01  0.322003D-01 -0.138008D+01
               161           162           163           164           165 
      1   0.641759D-01 -0.138008D+01 -0.566740D+00 -0.107720D+01 -0.104213D+01
      2   0.252923D+00 -0.243587D-01 -0.107720D+01  0.290125D+00 -0.108921D+00
      3  -0.243587D-01 -0.611122D+00 -0.104213D+01 -0.108921D+00 -0.212205D+00
               166           167           168           169           170 
      1  -0.147377D+01 -0.169007D+01 -0.496205D+00 -0.252486D+01 -0.136769D+01
      2  -0.169007D+01 -0.751355D+01 -0.296916D+01 -0.136769D+01 -0.567828D+01
      3  -0.496205D+00 -0.296916D+01 -0.228801D+01 -0.931223D+00 -0.457788D+01
               171           172           173           174           175 
      1  -0.931223D+00 -0.143582D-01 -0.533969D+00  0.918454D+00 -0.117342D+01
      2  -0.457788D+01 -0.533969D+00  0.643912D+00 -0.275129D+00 -0.131297D+01
      3  -0.427974D+01  0.918454D+00 -0.275129D+00  0.214657D+00  0.297924D+00
               176           177           178           179           180 
      1  -0.131297D+01  0.297924D+00  0.164127D+01  0.730597D+00 -0.613890D+00
      2  -0.634595D+01  0.285647D+01  0.730597D+00  0.428409D+01 -0.412975D+01
      3   0.285647D+01 -0.253498D+01 -0.613890D+00 -0.412975D+01  0.408683D+01
               181           182           183           184           185 
      1  -0.905544D+00 -0.393432D-01  0.856790D+00 -0.948723D+00  0.168875D+00
      2  -0.393432D-01  0.976071D-01  0.323458D+00  0.168875D+00 -0.187492D+01
      3   0.856790D+00  0.323458D+00 -0.103896D+00  0.876823D+00  0.109763D+01
               186           187           188           189           190 
      1   0.876823D+00  0.104210D+01  0.427338D+00 -0.971870D+00 -0.105119D+02
      2   0.109763D+01  0.427338D+00  0.136135D+01 -0.136744D+01  0.478846D+01
      3  -0.307166D+01 -0.971870D+00 -0.136744D+01  0.553081D+01  0.711567D+00
               191           192           193           194           195 
      1   0.478846D+01  0.711567D+00  0.374605D+01 -0.284208D+01 -0.478279D-01
      2  -0.310856D+01 -0.374435D+00 -0.284208D+01  0.298434D+01  0.410764D+00
      3  -0.374435D+00 -0.124420D+01 -0.478279D-01  0.410764D+00  0.270894D+00
               196           197           198           199           200 
      1  -0.152459D+01  0.868526D+00 -0.101613D+01  0.149340D+01  0.174535D+01
      2   0.868526D+00 -0.670254D+00  0.261511D+00  0.174535D+01  0.256072D+01
      3  -0.101613D+01  0.261511D+00 -0.145288D+00  0.495444D+00  0.135172D+01
               201           202           203           204           205 
      1   0.495444D+00  0.194347D+01  0.113330D+01  0.550502D+00  0.144713D+00
      2   0.135172D+01  0.113330D+01  0.572592D+01  0.202639D+01  0.677716D+00
      3   0.139171D+01  0.550502D+00  0.202639D+01  0.126353D+01  0.619520D+00
               206           207 
      1   0.677716D+00  0.619520D+00
      2   0.146675D+01  0.105295D+01
      3   0.105295D+01  0.138681D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.628995D+00 -0.102578D+01 -0.427163D+01 -0.158363D+01  0.898509D+00
      2  -0.128392D+01 -0.456639D+00  0.580649D+01  0.233413D+01  0.246700D+01
      3  -0.365310D+01 -0.124962D+02  0.120467D+01  0.752126D+01 -0.864737D+00
                 6             7             8             9            10 
      1  -0.137207D+00 -0.765978D+01  0.588192D+01 -0.189065D+01 -0.591561D+00
      2   0.719109D+01  0.172118D+01  0.104679D+02 -0.279193D+01  0.602944D+00
      3  -0.219809D+01 -0.186517D+01 -0.310513D+01 -0.397648D+01  0.309649D+01
                11            12            13            14            15 
      1  -0.385345D-01  0.238967D+01 -0.218795D+00  0.213553D+01  0.209737D+01
      2   0.240374D+00  0.897583D+01  0.376200D+01 -0.117599D+01 -0.363240D+01
      3  -0.109637D+02  0.330048D+00  0.100717D+02 -0.331759D+00  0.286740D+01
                16            17            18            19            20 
      1   0.491894D+01  0.101952D+02 -0.193579D+01  0.518678D+00  0.122968D+01
      2   0.773416D+01 -0.590434D+01  0.375659D+01  0.280963D+01 -0.344983D+01
      3  -0.253587D+01  0.192526D+01  0.155549D+01  0.522643D+01 -0.598147D+01
                21            22            23            24            25 
      1   0.290158D+01  0.389084D-01 -0.397725D+00 -0.376693D+01  0.222556D+01
      2  -0.219882D+01 -0.151145D+01 -0.167215D+00  0.373594D+01 -0.134257D+02
      3   0.248190D+01  0.488561D+01 -0.771895D+01 -0.560730D+00  0.274930D+01
                26            27            28            29            30 
      1   0.863045D+00  0.127927D+01 -0.799437D+00 -0.219871D+00  0.169458D+01
      2   0.483935D+01 -0.366417D+01 -0.132843D+01  0.218409D+01 -0.254699D+01
      3  -0.197197D+01 -0.696023D+01 -0.130317D+01  0.100641D+02 -0.949451D+00
                31            32            33            34            35 
      1  -0.660000D+00  0.205774D+01 -0.294240D+00  0.205424D+01  0.922050D+01
      2   0.193832D+01 -0.704784D+00 -0.709885D-01 -0.150196D+02  0.138464D+01
      3   0.117908D+02 -0.100589D+02 -0.192258D+01  0.788671D+00  0.270132D+01
                36            37            38            39            40 
      1  -0.777992D+00  0.134335D+01 -0.721827D+00 -0.121924D+01 -0.144200D+01
      2  -0.103191D+01  0.138154D+01  0.748871D+00 -0.184704D+01 -0.294247D+01
      3  -0.193196D+01 -0.549006D+01  0.630288D+01 -0.248816D+01  0.115388D+02
                41            42            43            44            45 
      1   0.431267D+00 -0.874683D+00 -0.293220D+01  0.719644D+01 -0.730357D+00
      2   0.288443D+01 -0.649012D+00 -0.139271D+02 -0.855010D+00 -0.776926D+00
      3   0.154501D+02  0.961861D+00  0.219012D+00 -0.241652D+01  0.346109D+01
                46            47            48            49            50 
      1   0.138221D+00  0.627779D+00 -0.149107D+01  0.124085D+01 -0.499343D+00
      2  -0.101856D+01 -0.185448D+01 -0.113905D+01 -0.183929D+01 -0.217610D+01
      3  -0.824301D+00 -0.120748D+02  0.171556D+01  0.980743D+00  0.510517D+01
                51            52            53            54            55 
      1  -0.355322D+01  0.146692D+01  0.148871D+01  0.792634D+00  0.753529D+00
      2  -0.579596D+01 -0.101356D+02 -0.846025D+01  0.349107D+01 -0.502774D+00
      3   0.116522D+01  0.979474D+00  0.107519D+01  0.678596D+01  0.346098D+01
                56            57            58            59            60 
      1  -0.334710D+01 -0.309044D+01 -0.228601D+01 -0.393001D+01  0.113320D+01
      2  -0.151244D+01  0.834817D+00 -0.350881D+01 -0.109256D+00  0.678828D+01
      3  -0.609399D+00  0.207027D+01  0.133810D+02  0.644257D+01  0.719643D+01
                61            62            63            64            65 
      1  -0.697154D+01  0.988174D+01 -0.278925D-01  0.309578D+01  0.199917D+01
      2  -0.114408D+02  0.994841D+01 -0.179035D+00  0.886260D+01 -0.161330D+01
      3   0.326776D+00  0.686628D+01 -0.544673D+01 -0.118978D+02 -0.792999D+01
                66            67            68            69            70 
      1   0.179229D+01 -0.215937D+00  0.237744D+01  0.158167D+01  0.217614D+01
      2   0.678717D+01 -0.252093D+01  0.164645D+01 -0.615412D+01 -0.265902D+01
      3  -0.376901D+01 -0.547344D+01  0.176267D+01 -0.502477D+01  0.987585D+00
                71            72            73            74            75 
      1   0.177528D+01 -0.259388D+01  0.648328D+00  0.100758D+01  0.868930D+00
      2  -0.107994D+02 -0.178310D+02  0.124851D+01 -0.113772D+01  0.620594D+01
      3  -0.313806D+01  0.832225D+01  0.144950D+02 -0.681304D+01  0.910650D+00
                76            77            78            79            80 
      1  -0.101561D+01  0.215024D+01 -0.789441D+01 -0.441301D+01  0.197433D+01
      2   0.227738D+00 -0.440319D+01 -0.518550D+00 -0.344731D+01  0.562895D+01
      3   0.315524D+01 -0.589101D+01  0.577738D+01 -0.291341D+01  0.769467D+01
                81            82            83            84            85 
      1   0.432962D+01 -0.110760D+00  0.295072D+00 -0.410120D+01  0.126311D+01
      2  -0.122602D+01 -0.227421D+01  0.533268D+00 -0.161081D+01  0.516308D+00
      3  -0.267667D+01 -0.600914D+01  0.448721D-01 -0.886368D+00  0.863260D+01
                86            87            88            89            90 
      1   0.184484D+01  0.101305D+02  0.612822D+01  0.228688D+02  0.177714D+01
      2   0.504309D-01 -0.705359D+00 -0.531336D+01 -0.507415D+01 -0.843215D-02
      3  -0.354346D+01 -0.104838D+01 -0.206909D+01 -0.279627D+01  0.387443D+01
                91            92            93            94            95 
      1  -0.156977D+00 -0.375868D+00 -0.233944D+01  0.241444D+00 -0.133619D+00
      2   0.343926D+00  0.181070D+00  0.406451D+01 -0.894168D+00 -0.714825D+00
      3  -0.267106D+01 -0.620992D+01  0.936451D-01 -0.530010D+01 -0.936996D+01
                96            97            98            99           100 
      1  -0.239354D+01  0.117705D+01  0.118914D+01  0.171667D+00  0.229383D+00
      2   0.322986D+01 -0.177647D+01 -0.868205D+00 -0.264776D+00  0.182980D+01
      3   0.665742D+00  0.899936D+00  0.124203D+01 -0.519875D-01  0.261349D+01
               101           102           103           104           105 
      1   0.384488D+00  0.145894D+01 -0.115189D+00 -0.121997D+00 -0.865061D+00
      2  -0.497248D+00  0.589445D+01 -0.181962D+01  0.849551D+00 -0.214141D+01
      3  -0.592086D+01  0.347158D+00 -0.510074D+01  0.395582D+01 -0.707191D+00
               106           107           108           109           110 
      1  -0.761185D+00  0.651735D+00  0.176415D+00 -0.380207D+00 -0.510650D-01
      2  -0.237312D+01  0.464683D+00  0.593189D+00 -0.628710D+00  0.727099D+00
      3   0.124391D+01 -0.118458D+01  0.229265D+00 -0.440018D+01  0.388584D+01
               111           112           113           114           115 
      1   0.773530D+00  0.384476D+00 -0.100608D+01 -0.459641D+01 -0.230175D+00
      2  -0.140959D+00  0.101254D+01 -0.247242D+01  0.102253D+01 -0.159734D+01
      3  -0.650253D+00  0.638542D+01 -0.155637D+02  0.276523D+01 -0.127050D+01
               116           117           118           119           120 
      1   0.222084D+01  0.560420D+00  0.577564D-01 -0.378986D+00  0.105549D+01
      2   0.577280D+00 -0.913594D-01  0.430726D+00 -0.375552D+00  0.883075D+00
      3   0.336724D+01 -0.379060D+00  0.164202D+01 -0.894259D+00  0.284479D+00
               121           122           123           124           125 
      1  -0.255906D+00 -0.367556D+00 -0.465080D+01 -0.759824D-02  0.199564D+01
      2  -0.125924D+00  0.326021D+01 -0.272433D+01 -0.121985D+01 -0.185819D+00
      3   0.125207D+01  0.173592D+02 -0.286109D+01 -0.113309D+00 -0.318232D+01
               126           127           128           129           130 
      1   0.637187D+00  0.100748D+01  0.388064D+00  0.963409D+00 -0.993331D-01
      2   0.374943D+00  0.147807D+01  0.141809D+00  0.108764D+01  0.928730D+00
      3   0.182770D+00  0.212699D+01 -0.200872D+01 -0.155638D+01  0.156910D+01
               131           132           133           134           135 
      1  -0.770971D-01 -0.398069D+01  0.206043D+01 -0.234583D+00  0.510288D+01
      2   0.286088D+01 -0.443766D+01 -0.705106D+00 -0.440481D+01  0.677776D+01
      3   0.544095D+01 -0.435757D+01 -0.200508D+01 -0.505035D+01  0.465480D+01
               136           137           138           139           140 
      1  -0.633723D+01  0.244344D+01  0.580800D+00  0.548587D+01 -0.601065D+00
      2  -0.722584D+01  0.115975D+02  0.619959D+01  0.104112D+02  0.341555D+01
      3   0.207519D+01 -0.177175D+02 -0.517763D+01 -0.969941D+01 -0.815769D+01
               141           142           143           144           145 
      1  -0.135489D+02  0.525516D+00 -0.789033D+01  0.573560D+01  0.881033D-01
      2  -0.467540D+01  0.236067D+01 -0.545881D+01  0.318941D+01  0.270778D+01
      3  -0.926101D+01 -0.269752D+01 -0.967591D+01  0.492304D+01  0.607760D+00
               146           147           148           149           150 
      1  -0.166006D+01 -0.321515D-01 -0.233710D+00  0.280970D+01  0.462924D+00
      2  -0.611596D+00 -0.324491D+01 -0.673105D+00  0.391974D+01  0.511395D+01
      3   0.181055D+01  0.781187D+00  0.259109D+01 -0.400986D+01 -0.388169D+01
               151           152           153           154           155 
      1   0.732987D-01  0.511822D+01  0.695161D+00 -0.120397D+01  0.140310D+01
      2  -0.131389D+01  0.476725D+01  0.206385D+02 -0.811018D+01  0.847571D+00
      3   0.440362D+00 -0.489998D+01 -0.381653D+01  0.472969D+01 -0.722169D+01
               156           157           158           159           160 
      1   0.193016D+00  0.130044D+01 -0.111456D+01 -0.912431D+00 -0.358430D+00
      2   0.506724D+01  0.134546D+01 -0.110755D+01 -0.410356D+00  0.285029D+01
      3   0.639057D+00 -0.310947D+01  0.376911D+01  0.421452D+00  0.622800D+00
               161           162           163           164           165 
      1   0.463964D+00  0.413743D+00 -0.281328D+01  0.629986D-01 -0.529584D+00
      2   0.230867D+00  0.398133D+00 -0.294174D+00 -0.419325D+00  0.131925D+01
      3   0.129728D+01 -0.476610D-02  0.173392D+01  0.161333D+01  0.320180D+01
               166           167           168           169           170 
      1  -0.168066D+01 -0.585420D+01 -0.768416D+01 -0.263090D+01 -0.950977D+01
      2  -0.354858D+00  0.125795D+01  0.137097D+01 -0.612244D+00  0.240687D+01
      3   0.352952D+01 -0.299549D+01 -0.131026D+01  0.723448D+01 -0.820395D+00
               171           172           173           174           175 
      1  -0.113710D+02  0.199405D+01 -0.292616D+00  0.649183D+00  0.107645D+01
      2   0.192516D+01 -0.126517D+00  0.425980D+00  0.349981D+00  0.715998D+00
      3  -0.215684D+01 -0.520123D+00 -0.862398D+00 -0.256519D+01  0.283839D+01
               176           177           178           179           180 
      1   0.495735D+01 -0.718037D+01 -0.179224D+01 -0.761838D+01  0.994232D+01
      2  -0.238483D+01  0.187928D+01 -0.156444D+01  0.277976D+01 -0.305508D+01
      3  -0.269622D+01  0.240326D+01 -0.480061D+01  0.296110D+01 -0.327260D+01
               181           182           183           184           185 
      1  -0.175977D+01 -0.299567D+00  0.775939D+00 -0.122962D+01 -0.742679D+01
      2  -0.870701D+00 -0.423706D+00 -0.393452D-01  0.256341D+00 -0.243550D+01
      3  -0.152632D+01 -0.247095D+00  0.200565D+01 -0.556914D-01 -0.485928D+01
               186           187           188           189           190 
      1   0.649425D+01  0.208404D+01  0.685863D+01 -0.124285D+02  0.225309D+01
      2   0.563721D+01 -0.176392D+01  0.288673D+01 -0.986825D+01  0.752976D+01
      3   0.386820D+01  0.250737D+01  0.403123D+01 -0.507364D+01 -0.125210D+02
               191           192           193           194           195 
      1  -0.210506D+01  0.358402D+01 -0.209821D+01  0.172466D+01 -0.120186D+01
      2  -0.299173D+01  0.533807D+01 -0.319822D+01  0.106283D+01 -0.167234D+01
      3  -0.104667D+00  0.306271D+00  0.334507D+01  0.178210D+01  0.971926D+00
               196           197           198           199           200 
      1   0.222551D+01  0.294034D+00  0.417435D+00  0.139645D+01  0.674974D+00
      2   0.148672D+01 -0.576713D+00  0.113688D+01 -0.420227D+01 -0.417363D+01
      3  -0.782776D+00  0.604492D+00 -0.184452D+01  0.102482D+02  0.869042D+01
               201           202           203           204           205 
      1  -0.260661D+01  0.744067D+00  0.203231D+01 -0.241789D+01 -0.598861D+00
      2  -0.199321D+01 -0.405998D+01 -0.582336D+01 -0.238121D+01 -0.262605D+01
      3   0.356302D+01  0.100382D+02  0.137623D+02  0.543236D+01  0.205366D+01
               206           207 
      1   0.758683D+00 -0.216838D+01
      2  -0.256421D+01 -0.285583D+01
      3   0.447541D+01  0.360292D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.986188D+00 -0.193421D+02  0.280179D+01  0.290747D+02 -0.561826D+00
      2  -0.303048D+01  0.128148D+02  0.195605D+01 -0.294841D+02 -0.377765D+01
      3   0.401667D+01  0.652728D+01 -0.475785D+01  0.409391D+00  0.433947D+01
      4  -0.191390D+02  0.157075D+02 -0.406605D+01 -0.217105D+01 -0.192369D+02
      5  -0.219427D+01 -0.234453D+01  0.128181D+02  0.669399D+01  0.708819D+01
      6  -0.251086D+01 -0.125749D+01  0.934141D+01  0.724874D+01  0.297052D+01
                 6             7             8             9            10 
      1   0.102609D+01 -0.807661D+01 -0.163242D+01  0.972658D+01 -0.772993D+01
      2  -0.266667D+01  0.971665D+01  0.417234D+01 -0.139369D+02  0.325203D+01
      3   0.164058D+01 -0.164004D+01 -0.253992D+01  0.421033D+01  0.447790D+01
      4   0.101664D+02  0.297968D+01  0.928138D+01  0.135612D+02  0.103404D+02
      5   0.150393D+02  0.290107D+02  0.155654D+02 -0.647619D+01 -0.653722D+01
      6   0.147173D+01  0.849231D+01  0.107827D+02  0.236303D+01 -0.935300D-01
                11            12            13            14            15 
      1   0.740001D+01 -0.651233D+01 -0.204026D+02 -0.197031D+02  0.618409D+01
      2  -0.342564D+01  0.165821D+01  0.197805D+02  0.196000D+02 -0.761034D+01
      3  -0.397436D+01  0.485412D+01  0.622169D+00  0.103120D+00  0.142624D+01
      4   0.235862D+02  0.848448D+00 -0.196736D+02  0.166500D+02 -0.836349D+01
      5   0.190207D+01  0.190467D+02  0.107923D+02 -0.467793D+01 -0.831651D+01
      6  -0.575693D+00 -0.500081D+01 -0.605321D+01 -0.257251D+01 -0.388001D+01
                16            17            18            19            20 
      1  -0.337953D+01  0.736997D+01  0.153084D+02  0.117806D+02  0.122162D+00
      2  -0.213079D+01 -0.491348D+01 -0.191336D+02 -0.826948D+01 -0.276055D+01
      3   0.551033D+01 -0.245650D+01  0.382518D+01 -0.351111D+01  0.263839D+01
      4   0.120974D+02 -0.501924D+01 -0.487040D+01  0.779596D+01 -0.257040D+02
      5   0.359893D+02 -0.811224D+01  0.716162D+01  0.326162D+01  0.202298D+01
      6  -0.368688D+01  0.618573D+01  0.280315D+01  0.247508D+01 -0.139751D+01
                21            22            23            24            25 
      1   0.120313D+01  0.788071D+01  0.107831D+02 -0.477052D+01  0.107688D+01
      2  -0.211068D+01 -0.103284D+01 -0.175962D+02  0.749163D+01 -0.178228D+01
      3   0.907551D+00 -0.684787D+01  0.681314D+01 -0.272111D+01  0.705397D+00
      4   0.364519D+01  0.181455D+02  0.883523D+01  0.925844D+00 -0.176888D+01
      5  -0.590929D+01 -0.153939D+01  0.559039D+00  0.574122D+01  0.311327D+01
      6  -0.549436D+01 -0.171389D+01  0.105438D+02  0.655512D+01  0.912268D+00
                26            27            28            29            30 
      1  -0.400270D+01 -0.130324D+02 -0.332262D+02  0.130639D+02 -0.171350D+01
      2   0.930252D+01 -0.785799D+00  0.196378D+02 -0.641780D+01 -0.543736D+00
      3  -0.529981D+01  0.138182D+02  0.135884D+02 -0.664609D+01  0.225724D+01
      4  -0.251231D+01  0.115873D+02 -0.105309D+02  0.922392D+01 -0.502576D+00
      5   0.106154D+02 -0.797392D+01 -0.288456D+01  0.933616D+00 -0.332742D+01
      6   0.132977D+02 -0.485493D+01  0.199613D+01 -0.369937D-02 -0.213433D+01
                31            32            33            34            35 
      1   0.138169D+02 -0.314088D+01  0.107687D+01 -0.662889D+01  0.258838D+01
      2  -0.527956D+01  0.646063D+01 -0.318854D+01 -0.811602D+00 -0.115019D+01
      3  -0.853735D+01 -0.331976D+01  0.211167D+01  0.744049D+01 -0.143819D+01
      4  -0.430769D+01  0.777237D+01 -0.156073D+01  0.416823D+01 -0.223777D+01
      5   0.229988D+01 -0.950086D+00 -0.533565D+00  0.159906D+01  0.170040D-01
      6  -0.632403D+01 -0.263514D+01  0.214640D+01 -0.863553D+00  0.764437D+01
                36            37            38            39            40 
      1  -0.116634D+02 -0.171007D+02 -0.271940D+02  0.252741D+01 -0.167271D+02
      2   0.117079D+00  0.143814D+02  0.200177D+02  0.498227D+00  0.591400D+01
      3   0.115463D+02  0.271921D+01  0.717626D+01 -0.302564D+01  0.108131D+02
      4  -0.242464D+01 -0.565127D+01  0.166766D+01 -0.129816D+01 -0.747401D-01
      5  -0.935502D+00  0.247968D+01  0.749017D+00 -0.186751D+01  0.460419D+00
      6   0.328722D+00 -0.282319D+01 -0.112288D+00  0.129646D+01  0.789247D+01
                41            42            43            44            45 
      1  -0.102156D+02 -0.340441D+00  0.134768D+01 -0.210386D+01 -0.148500D+02
      2   0.110101D+02 -0.909632D+00  0.236388D+01  0.208183D+01  0.410461D+01
      3  -0.794572D+00  0.125007D+01 -0.371156D+01  0.220300D-01  0.107454D+02
      4  -0.818906D+01  0.287834D+01  0.731238D+00  0.192267D+01 -0.218100D+01
      5   0.313575D+01 -0.346526D+00  0.200859D+01 -0.264903D+01 -0.527289D+00
      6  -0.265390D+00  0.172529D+01 -0.867592D+00  0.111802D+02  0.178605D+01
                46            47            48            49            50 
      1   0.127661D+02  0.176818D+02  0.724400D-01 -0.198690D+02  0.138761D+02
      2  -0.124290D+02 -0.128420D+02  0.927081D+00  0.166053D+02 -0.216102D+02
      3  -0.337110D+00 -0.483988D+01 -0.999521D+00  0.326373D+01  0.773406D+01
      4   0.632132D+01 -0.204440D+02  0.453457D+01  0.123675D+02 -0.199488D+01
      5  -0.276498D+01  0.228704D+01 -0.465423D+01 -0.387528D+00 -0.462757D+01
      6   0.474875D+01 -0.996718D+00  0.231481D+01 -0.258217D+01  0.106608D+02
                51            52            53            54            55 
      1  -0.380101D+01  0.387843D+01 -0.200401D+01 -0.670300D+01  0.212990D+02
      2   0.704482D+01 -0.464038D+01  0.883265D+01 -0.455053D+01 -0.102880D+02
      3  -0.324380D+01  0.761954D+00 -0.682864D+01  0.112535D+02 -0.110109D+02
      4  -0.428467D+01  0.117787D+01 -0.777832D+01 -0.139704D+02 -0.433734D+01
      5  -0.108626D+02  0.797114D+01 -0.146380D+02  0.676288D+01  0.205229D+01
      6   0.683714D+01 -0.434393D+01  0.128180D+02 -0.293365D+01 -0.333294D+01
                56            57            58            59            60 
      1  -0.149851D+02 -0.399764D+01 -0.198404D+02  0.398238D+01 -0.939170D+01
      2   0.115101D+02  0.484356D+01  0.132396D+02  0.130591D+01  0.775887D+01
      3   0.347494D+01 -0.845914D+00  0.660086D+01 -0.528829D+01  0.163283D+01
      4  -0.748722D+01 -0.472354D+01 -0.138594D+02  0.752899D+01 -0.526262D+01
      5  -0.652122D+01 -0.728871D+01 -0.883030D+01 -0.704694D+01  0.139117D+02
      6   0.415947D+01  0.490798D+01  0.553463D+00  0.797004D+01 -0.175589D+02
                61            62            63            64            65 
      1  -0.653890D+00 -0.790604D+01  0.116107D+02 -0.505831D+02  0.145360D+02
      2   0.474905D+01  0.113432D+01 -0.107402D+02  0.259473D+02 -0.102773D+02
      3  -0.409516D+01  0.677173D+01 -0.870456D+00  0.246358D+02 -0.425868D+01
      4  -0.118849D+02  0.249774D+01  0.207672D+02  0.155350D+02  0.384858D+01
      5  -0.155346D+02  0.195619D+02 -0.222289D+01 -0.759321D+01  0.690778D+01
      6   0.161919D+02 -0.232775D+02  0.102064D+02  0.298414D+01  0.149037D+01
                66            67            68            69            70 
      1  -0.523612D+01  0.217013D+02  0.846022D+01  0.871263D+01  0.859574D+00
      2  -0.233034D+01 -0.131745D+02 -0.111666D+02  0.918589D-01  0.144032D+01
      3   0.756647D+01 -0.852673D+01  0.270636D+01 -0.880449D+01 -0.229990D+01
      4   0.467618D+01 -0.867860D+00  0.123481D+01  0.593216D+01  0.481000D+01
      5   0.743447D+01  0.106077D+02  0.772247D+01 -0.429095D+01 -0.173012D+01
      6   0.709478D+00  0.209904D+01 -0.582941D+00 -0.469339D+01 -0.265777D+01
                71            72            73            74            75 
      1   0.314789D+01  0.156286D+02  0.322642D+02  0.873005D+01  0.356252D+00
      2   0.975219D+01  0.149680D+02 -0.185899D+02 -0.643628D+01 -0.143042D+01
      3  -0.129001D+02 -0.305965D+02 -0.136743D+02 -0.229377D+01  0.107417D+01
      4  -0.506284D-01 -0.143201D+02  0.129519D+02  0.108810D+02 -0.514941D+01
      5  -0.139751D+02 -0.270388D+02 -0.530442D+01 -0.332683D+01  0.964503D+01
      6  -0.189776D+01 -0.116767D+02 -0.135110D+01 -0.695400D+01 -0.476694D+01
                76            77            78            79            80 
      1  -0.870249D+01 -0.687277D+01  0.771654D+00 -0.600100D+01 -0.613551D+00
      2   0.945972D+01  0.156490D+02  0.159683D+01  0.438330D+01 -0.405947D+01
      3  -0.757227D+00 -0.877619D+01 -0.236849D+01  0.161770D+01  0.467302D+01
      4   0.124314D+02  0.105512D+02 -0.691273D+01 -0.552223D+01 -0.633895D+01
      5  -0.474038D+01 -0.653250D+01 -0.262799D+01  0.105417D+02  0.796724D+01
      6  -0.360940D+00 -0.229745D+01  0.110238D+02  0.380371D+01  0.107198D+02
                81            82            83            84            85 
      1  -0.759344D+01 -0.127966D+02 -0.444081D+01 -0.450102D+00  0.195103D+02
      2  -0.379689D+01  0.103866D+02  0.716550D+01  0.237964D+01 -0.173577D+02
      3   0.113903D+02  0.241003D+01 -0.272469D+01 -0.192954D+01 -0.215264D+01
      4   0.961190D+01  0.163864D+01 -0.157358D+01  0.189629D+01 -0.825420D+00
      5  -0.280657D+01 -0.167640D+01  0.906353D+00 -0.662251D+01 -0.214249D+01
      6  -0.198917D+01 -0.578098D+00  0.113911D+01  0.942015D+01 -0.349304D+01
                86            87            88            89            90 
      1   0.399419D+02  0.146899D+01  0.580792D+01  0.613456D+01  0.322980D+02
      2  -0.381810D+02 -0.249828D+01 -0.606888D+01 -0.903947D+01 -0.308833D+02
      3  -0.176092D+01  0.102929D+01  0.260966D+00  0.290492D+01 -0.141468D+01
      4  -0.724543D+01 -0.209053D+01 -0.279394D+01 -0.405883D+01 -0.853344D+01
      5  -0.292111D+01 -0.454418D+01 -0.274015D+01 -0.105127D+02 -0.141275D+01
      6  -0.440518D+01 -0.289291D+02 -0.799554D+01 -0.451170D+02 -0.438907D+01
                91            92            93            94            95 
      1   0.482460D+02  0.236280D+02 -0.222782D+01  0.206366D+02  0.146577D+02
      2  -0.188407D+02 -0.615135D+01  0.110407D+01 -0.156013D+01  0.361471D+01
      3  -0.294053D+02 -0.174766D+02  0.112375D+01 -0.190765D+02 -0.182724D+02
      4   0.450833D+02  0.320219D+02 -0.226779D+01  0.387319D+02  0.375513D+02
      5  -0.521006D+01 -0.272487D+01  0.733761D+01 -0.514085D+01 -0.436427D+01
      6  -0.887494D+00 -0.692784D+00  0.310420D+01 -0.217422D+01 -0.194833D+01
                96            97            98            99           100 
      1  -0.178031D+01 -0.942868D+00 -0.735712D+00  0.838770D+00  0.946432D+02
      2   0.851605D+00 -0.585194D+00 -0.822476D+00  0.446749D+00 -0.519696D+02
      3   0.928701D+00  0.152806D+01  0.155819D+01 -0.128552D+01 -0.426735D+02
      4  -0.351483D+01 -0.410505D+01 -0.376693D+01  0.280164D+01 -0.320750D+02
      5   0.513189D+01  0.213189D+01  0.142228D+01 -0.761013D+00  0.119494D+02
      6   0.417486D+01  0.120094D+01  0.170726D+01 -0.948770D+00 -0.466805D+00
               101           102           103           104           105 
      1  -0.213729D+02  0.839016D+01 -0.197961D+02  0.136939D+02 -0.314781D+01
      2   0.105192D+02 -0.553783D+01  0.847926D+01 -0.538523D+01  0.209965D+01
      3   0.108536D+02 -0.285233D+01  0.113169D+02 -0.830864D+01  0.104816D+01
      4   0.159049D+02 -0.299417D+01  0.229015D+02 -0.125739D+02  0.276233D+01
      5  -0.277819D+01  0.103087D+02 -0.536722D+01  0.285454D+01 -0.332281D+01
      6   0.662954D+00 -0.173516D+01  0.152847D+01 -0.777311D+00  0.219325D+01
               106           107           108           109           110 
      1   0.991076D+01 -0.322258D+01  0.325184D+01 -0.394729D+01  0.651096D+01
      2  -0.531315D+01  0.144600D+01 -0.173940D+01  0.548294D+01 -0.581339D+01
      3  -0.459761D+01  0.177658D+01 -0.151245D+01 -0.153565D+01 -0.697572D+00
      4  -0.614917D+01  0.310044D+01 -0.235277D+01  0.973661D+00  0.671103D+01
      5   0.336492D+01 -0.106262D+01  0.227079D+01 -0.399942D+00 -0.546580D+00
      6  -0.748833D+00  0.959815D+00 -0.825728D+00 -0.157391D+01  0.213875D+01
               111           112           113           114           115 
      1  -0.186335D+01  0.377701D+01 -0.374191D+02  0.713732D+01 -0.125177D+01
      2   0.115680D+01 -0.313647D+01  0.520217D+02 -0.727791D+01  0.137040D+01
      3   0.706553D+00 -0.640535D+00 -0.146025D+02  0.140590D+00 -0.118627D+00
      4  -0.700017D+00  0.539807D+01  0.190272D+02 -0.388637D+01 -0.869130D+00
      5   0.111187D+01 -0.820080D+00 -0.466123D+01  0.228265D+01  0.636173D+00
      6  -0.118331D+01  0.271153D+00 -0.135684D+02  0.905288D+01 -0.219989D+00
               116           117           118           119           120 
      1   0.745017D+01 -0.343973D+01  0.154549D+01 -0.309473D+01  0.543270D+00
      2  -0.907056D+01  0.391937D+01  0.337640D+01 -0.266138D+01  0.158729D+00
      3   0.162039D+01 -0.479641D+00 -0.492189D+01  0.575611D+01 -0.701999D+00
      4  -0.306313D+01 -0.199536D+00 -0.108562D+02  0.155344D+02 -0.297599D+01
      5   0.468620D+00 -0.153646D+00  0.195406D+01 -0.270190D+01  0.281715D+01
      6   0.544769D+01 -0.319106D+01 -0.184758D+01  0.206365D+01 -0.176634D+01
               121           122           123           124           125 
      1   0.139070D+01 -0.247573D+02  0.420831D+01  0.215765D+00  0.420329D+01
      2  -0.827343D+01  0.449268D+02 -0.526143D+01  0.802588D+00 -0.707018D+01
      3   0.688272D+01 -0.201694D+02  0.105312D+01 -0.101835D+01  0.286689D+01
      4   0.172587D+02 -0.433687D+02  0.733196D+01 -0.365910D+01  0.867168D+01
      5  -0.279471D+01  0.659597D+01 -0.491963D+01  0.144459D+01 -0.208514D+01
      6   0.281481D+01 -0.110154D+02  0.869604D+01 -0.153350D+01  0.541833D+01
               126           127           128           129           130 
      1  -0.281896D+01  0.309241D+00 -0.113194D+01  0.266542D+01  0.407758D+01
      2   0.370060D+01 -0.394450D+00  0.536561D-01 -0.193258D+01 -0.411721D+01
      3  -0.881640D+00  0.852091D-01  0.107828D+01 -0.732843D+00  0.396366D-01
      4  -0.248046D+01 -0.415329D+01  0.708290D+01 -0.377833D+01  0.100743D+02
      5   0.150943D+01  0.483486D+01 -0.283184D+01  0.740358D+01 -0.317745D+01
      6  -0.308131D+01 -0.582100D+01  0.112517D+01 -0.199748D+01  0.415430D+01
               131           132           133           134           135 
      1  -0.144443D+02  0.966402D+01 -0.737821D+00  0.109169D+02 -0.159095D+02
      2   0.145265D+02 -0.781293D+01 -0.768320D+00 -0.509255D+01  0.623378D+00
      3  -0.821511D-01 -0.185110D+01  0.150614D+01 -0.582438D+01  0.152861D+02
      4  -0.146980D+02  0.754894D+01 -0.529289D+01  0.875834D+01 -0.103053D+02
      5   0.792860D+01 -0.963563D+01  0.992242D+01 -0.106307D+02  0.158337D+02
      6  -0.168393D+02  0.180453D+02 -0.749638D+01  0.186910D+02 -0.236109D+02
               136           137           138           139           140 
      1  -0.217340D+02  0.317394D+02  0.763371D+01  0.298030D+02  0.740825D+01
      2  -0.803981D+01 -0.184803D+02 -0.973492D+01 -0.152862D+02 -0.989700D+01
      3   0.297738D+02 -0.132590D+02  0.210121D+01 -0.145168D+02  0.248876D+01
      4   0.402353D+02 -0.170596D+02  0.575669D+01 -0.960308D+01 -0.220367D+01
      5   0.449253D+01  0.322679D+00  0.525736D+01  0.297144D+01  0.915024D+00
      6  -0.314053D+01 -0.113920D+02 -0.699379D+01 -0.101029D+02 -0.653090D+01
               141           142           143           144           145 
      1   0.328982D+01  0.542014D+01  0.382479D+01 -0.282246D+01  0.324362D+01
      2  -0.186194D+02 -0.933011D+01 -0.129333D+02  0.146411D+02 -0.448091D+01
      3   0.153296D+02  0.390997D+01  0.910847D+01 -0.118186D+02  0.123729D+01
      4  -0.245830D+00  0.177196D+02 -0.794508D+01 -0.192395D+02  0.385234D+00
      5  -0.164699D+02  0.103121D+02 -0.192104D+02  0.151743D+01  0.438774D+01
      6   0.690312D+01 -0.139808D+02  0.114626D+02  0.576482D+01  0.138154D+01
               146           147           148           149           150 
      1   0.102125D+01  0.807054D+01  0.327116D+00 -0.656721D+01 -0.622473D+01
      2   0.352106D+00 -0.827834D-01 -0.111364D+01  0.134681D+01 -0.203317D+01
      3  -0.137336D+01 -0.798775D+01  0.786520D+00  0.522040D+01  0.825789D+01
      4  -0.993423D+00  0.462102D+00  0.340798D+01  0.649423D+01  0.739031D+01
      5   0.245466D-01  0.903965D+00  0.327119D+01  0.647914D+01  0.942942D+01
      6  -0.816963D+00 -0.140672D+01  0.145735D+01  0.698519D+01  0.115572D+02
               151           152           153           154           155 
      1   0.410102D+01 -0.448636D+01 -0.183562D+02  0.798508D+02 -0.887693D+01
      2  -0.703409D+01 -0.322122D+01 -0.226117D+02 -0.447492D+02  0.497643D+01
      3   0.293308D+01  0.770757D+01  0.409679D+02 -0.351016D+02  0.390050D+01
      4   0.295987D+01  0.788594D+01  0.926684D+01 -0.860454D+01  0.103965D+02
      5   0.127073D+02  0.858245D+01  0.364051D+02  0.176630D+02 -0.236179D+01
      6   0.229191D+01  0.777371D+01  0.131771D+02 -0.151519D+01  0.135703D+01
               156           157           158           159           160 
      1   0.590662D+01 -0.147182D+02  0.820907D+01 -0.229474D+01 -0.169358D+01
      2  -0.524232D+01  0.819702D+01 -0.313899D+01  0.893911D+00 -0.887657D+00
      3  -0.664304D+00  0.652122D+01 -0.507009D+01  0.140083D+01  0.258124D+01
      4  -0.758958D+00  0.132267D+02 -0.613873D+01  0.572598D+00 -0.560611D+00
      5   0.106431D+02 -0.475074D+01  0.145417D+01 -0.173663D+01  0.115151D+02
      6  -0.521420D+00  0.232851D+01 -0.134009D+01  0.232220D+01 -0.835215D+00
               161           162           163           164           165 
      1  -0.265743D+00  0.614920D+01 -0.951727D+00  0.287315D+01  0.122380D+01
      2  -0.747287D+00 -0.603546D+01  0.205554D+01 -0.252397D+01 -0.144074D+01
      3   0.101303D+01 -0.113737D+00 -0.110381D+01 -0.349178D+00  0.216944D+00
      4  -0.886331D+00 -0.475685D+00  0.309243D+01  0.796216D+01  0.497725D+01
      5  -0.820611D+00  0.350222D+01  0.204948D+01  0.316062D+01  0.530827D+01
      6   0.131330D+01  0.290620D+00  0.702321D+01  0.618651D+00  0.976259D+00
               166           167           168           169           170 
      1  -0.429859D+01 -0.318693D+02 -0.119958D+02 -0.268819D+01 -0.245915D+02
      2   0.611375D+01  0.405485D+02  0.145545D+02  0.334874D+01  0.262657D+02
      3  -0.181515D+01 -0.867917D+01 -0.255872D+01 -0.660552D+00 -0.167422D+01
      4   0.683491D+01  0.109423D+02  0.421831D+01  0.824894D+01  0.830396D+01
      5   0.256047D+01  0.434211D+01  0.363153D+01  0.535548D+01  0.746404D+01
      6   0.375889D+01  0.224875D+02  0.182648D+02  0.685834D+01  0.323531D+02
               171           172           173           174           175 
      1  -0.221025D+02 -0.135565D+00  0.352495D+01 -0.317097D+01 -0.403322D+01
      2   0.169861D+02  0.490055D+00 -0.362696D+01  0.196186D+01  0.486752D+01
      3   0.511640D+01 -0.354490D+00  0.102012D+00  0.120911D+01 -0.834299D+00
      4   0.628960D+01  0.936708D+00  0.667785D+01 -0.457361D+01  0.547102D+01
      5   0.625465D+01 -0.124729D+01 -0.257368D+01  0.375041D+01 -0.167654D+01
      6   0.263870D+02 -0.572411D+01  0.211270D+01 -0.153694D+01 -0.228705D+01
               176           177           178           179           180 
      1  -0.275147D+02  0.128215D+02  0.951193D+00  0.197230D+02 -0.212753D+02
      2   0.334183D+02 -0.141449D+02 -0.121936D+01 -0.191474D+02  0.145432D+02
      3  -0.590359D+01  0.132346D+01  0.268162D+00 -0.575554D+00  0.673212D+01
      4   0.780632D+01 -0.321841D+01 -0.600108D+01 -0.531427D+01  0.483189D+01
      5  -0.404988D+01  0.377757D+01  0.398667D+01  0.640547D+01 -0.553946D+01
      6  -0.204324D+02  0.185074D+02  0.485568D+01  0.275778D+02 -0.240194D+02
               181           182           183           184           185 
      1   0.382956D+01 -0.173124D+01 -0.445820D+01  0.926114D+00 -0.683230D+00
      2  -0.381462D+01  0.629438D+00  0.410151D+01 -0.225394D+01 -0.587123D+01
      3  -0.149356D-01  0.110181D+01  0.356695D+00  0.132782D+01  0.655446D+01
      4  -0.243447D+01  0.219078D+01  0.424815D+00 -0.538821D-01  0.851411D+01
      5  -0.508565D+01 -0.167350D+01  0.506330D+01 -0.577771D+01 -0.382136D+01
      6   0.849595D+00  0.124070D+01  0.602260D+00  0.158601D+01 -0.272958D+01
               186           187           188           189           190 
      1   0.187612D+01 -0.392918D+01 -0.585135D+00 -0.795229D+01  0.462405D+02
      2   0.121182D+02  0.633466D+01  0.970819D+01 -0.204013D+02 -0.101542D+02
      3  -0.139943D+02 -0.240547D+01 -0.912306D+01  0.283536D+02 -0.360862D+02
      4  -0.383875D+01  0.649819D+00 -0.489070D+01  0.593963D+01 -0.527756D+02
      5   0.121573D+02  0.871542D+01  0.544659D+01 -0.208797D+02 -0.143891D+02
      6  -0.186217D+01 -0.126165D+01  0.250104D+01  0.744121D+01  0.544674D+01
               191           192           193           194           195 
      1  -0.147715D+02 -0.107953D+00 -0.107103D+02  0.337509D+01 -0.944805D+00
      2  -0.347002D+01  0.207936D+01 -0.484812D+01  0.972828D+01  0.137196D+01
      3   0.182415D+02 -0.197140D+01  0.155584D+02 -0.131034D+02 -0.427158D+00
      4   0.320350D+02  0.280534D+01  0.273485D+02 -0.229974D+02 -0.147321D+01
      5   0.654150D+01  0.984917D+01  0.455400D+01 -0.372520D+01 -0.261349D+01
      6  -0.399727D+01 -0.641760D+01 -0.240614D+01  0.408849D+01  0.370519D+01
               196           197           198           199           200 
      1   0.444597D+01 -0.131890D+01  0.420072D+01 -0.745372D+01 -0.171764D+02
      2   0.155273D+01 -0.105841D+01 -0.265771D+01  0.103538D+02  0.184909D+02
      3  -0.599870D+01  0.237732D+01 -0.154301D+01 -0.290005D+01 -0.131449D+01
      4  -0.677052D+01  0.422936D+01 -0.463155D+01  0.280321D+01  0.310800D+01
      5   0.774875D+01 -0.227719D+01 -0.116386D+00  0.288227D+01  0.848174D+00
      6  -0.499794D+01  0.304152D+01 -0.108814D+01  0.476116D+01  0.100878D+02
               201           202           203           204           205 
      1  -0.803009D+01 -0.121810D+02 -0.281573D+02 -0.110265D+02 -0.384521D+01
      2   0.574804D+01  0.109754D+02  0.375049D+02  0.111113D+02  0.269625D+01
      3   0.228205D+01  0.120563D+01 -0.934762D+01 -0.848159D-01  0.114896D+01
      4  -0.168183D-01  0.736858D+01 -0.672593D+01 -0.235519D+01 -0.165169D+00
      5  -0.915091D+00  0.293404D+01 -0.169693D+01 -0.882287D+00  0.146026D+01
      6   0.828220D+01  0.452427D+01  0.184553D+02  0.118559D+02  0.441799D+01
               206           207 
      1  -0.937143D+01 -0.923617D+01
      2   0.814927D+01  0.448005D+01
      3   0.122216D+01  0.475613D+01
      4  -0.789049D+00  0.132767D+01
      5  -0.722740D-02 -0.165381D+01
      6   0.106950D+02  0.828224D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.426765D+00      0.108473D+01      0.361827D+01
   x          0.226347D+00      0.575317D+00      0.191905D+01
   y          0.189666D+00      0.482084D+00      0.160806D+01
   z         -0.308094D+00     -0.783097D+00     -0.261213D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114610D+03      0.169835D+02      0.188967D+02
   aniso      0.540530D+02      0.800982D+01      0.891213D+01
   xx         0.139945D+03      0.207377D+02      0.230738D+02
   yx        -0.282459D+01     -0.418560D+00     -0.465711D+00
   yy         0.123418D+03      0.182887D+02      0.203489D+02
   zx         0.287768D+01      0.426428D+00      0.474465D+00
   zy        -0.388014D+01     -0.574978D+00     -0.639749D+00
   zz         0.804671D+02      0.119240D+02      0.132672D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.122974D+03      0.182229D+02      0.202757D+02
   aniso      0.553837D+02      0.820702D+01      0.913154D+01
   xx         0.149530D+03      0.221581D+02      0.246542D+02
   yx        -0.246446D+01     -0.365195D+00     -0.406334D+00
   yy         0.131278D+03      0.194535D+02      0.216449D+02
   zx         0.271985D+01      0.403040D+00      0.448443D+00
   zy        -0.377854D+01     -0.559922D+00     -0.622997D+00
   zz         0.881140D+02      0.130571D+02      0.145280D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.66220243         -0.83929219          3.54989462
     6          4.66476626          1.25623974          2.31679814
     6          1.31896453         -1.76693413          2.83444931
     6         -0.06333214         -0.63268118          0.89704235
     6          0.94850526          1.47008224         -0.33271392
     6          3.30472591          2.39897540          0.39150176
     6         -2.60382006         -1.68251464          0.10436484
     6         -4.06600245          0.33679553         -1.34717779
     8         -2.56923868          1.34538785         -3.33249771
     6         -0.52623406          2.78670377         -2.39072981
     1          4.70441885         -1.74128215          5.06108897
     1          6.49630156          1.99076441          2.85463850
     1          0.53275239         -3.39560187          3.79687613
     1          4.08091096          4.03222583         -0.57264486
     1         -3.67930483         -2.14309546          1.81176297
     6         -2.30054647         -4.09564630         -1.47271244
     1         -4.65982098          1.85995797         -0.06673155
     1         -5.74753054         -0.45747117         -2.23388248
     1         -1.23032680          4.60840651         -1.67092280
     1          0.69143089          3.18777572         -4.00508959
     1         -1.34355663         -3.67049862         -3.24745136
     1         -4.14225117         -4.92038558         -1.90762434
     1         -1.18449193         -5.50425137         -0.46433365

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.426765D+00      0.108473D+01      0.361827D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.426765D+00      0.108473D+01      0.361827D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114610D+03      0.169835D+02      0.188967D+02
   aniso      0.540530D+02      0.800982D+01      0.891213D+01
   xx         0.126668D+03      0.187703D+02      0.208848D+02
   yx         0.148868D+02      0.220599D+01      0.245450D+01
   yy         0.112526D+03      0.166746D+02      0.185530D+02
   zx         0.207075D+02      0.306853D+01      0.341420D+01
   zy        -0.141025D+02     -0.208978D+01     -0.232519D+01
   zz         0.104636D+03      0.155055D+02      0.172522D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.122974D+03      0.182229D+02      0.202757D+02
   aniso      0.553837D+02      0.820702D+01      0.913154D+01
   xx         0.135438D+03      0.200699D+02      0.223308D+02
   yx         0.148668D+02      0.220304D+01      0.245121D+01
   yy         0.120388D+03      0.178396D+02      0.198493D+02
   zx         0.217472D+02      0.322260D+01      0.358562D+01
   zy        -0.140953D+02     -0.208871D+01     -0.232400D+01
   zz         0.113096D+03      0.167591D+02      0.186470D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-K08-12-02\Freq\RM11\Gen\C10H12O1\PIERPA\18-Jul-2021\0\\#P
  M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gues
 s=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,2.556893,0.962
 771,-0.130925\C,2.806469,-0.381564,0.128707\C,1.251477,1.398833,-0.297
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 POCKETA-POCKETA
 BARON VON RICHTOFEN
 SLAUGHTERED THE ALLIES WITH
 HARDLY A CARE.
 KILLED EIGHTY-ONE WITH HIS
 BLOOD-COLORED TRIPLANE, THEN
 UN-AEROBATICALLY
 PLUNGED FROM THE AIR.
   -- TONY HOFFMAN
 Job cpu time:       0 days 17 hours 52 minutes 55.6 seconds.
 Elapsed time:       0 days  2 hours 14 minutes 48.8 seconds.
 File lengths (MBytes):  RWF=    397 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Sun Jul 18 15:18:32 2021.
